SCHEMBL7778181

SCHEMBL7778181

CC(C)(C)NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX1 P07099 7/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 1/20 0.33
CYP3A4 P08684 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADH4 P08319 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17822022 0.97 ALDH1A1 (0.38) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL7778173 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL272103 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL7775102 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17822027 0.94 ALDH1A1 (0.36) ALDH1A1HSD17B10EPHX1PDK1PDK2
Iodide SCHEMBL28089655 0.94 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17821887 0.94 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Bromide SCHEMBL28089455 0.94 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Water SCHEMBL5430832 0.94 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Hydrochloric Acid SCHEMBL1241011 0.94 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 248 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 US disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11713302-B2 Sulfonamide benzamide derivative and preparation method and application thereof WEIFANG MEDICAL UNIVERSITY (CN) 2023-08-01 US disclosed
US-11713302-B2 Sulfonamide benzamide derivative and preparation method and application thereof WEIFANG MEDICAL UNIVERSITY (CN) 2023-08-01 US disclosed
US-20070254884-A1 Compositions and Methods for Inducing Cell Dedifferentiation THE SCRIPPS RESEARCH INSTITUTE 2007-11-01 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254884-A1 Compositions and Methods for Inducing Cell Dedifferentiation PAX3, PAX2, ALPG ALDH1A1 550/4885HSD17B10 1618/4885EPHX1 1222/4885
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ALDH1A1 430/4885HSD17B10 1176/4885EPHX1 323/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A ALDH1A1 173/4885HSD17B10 2928/4885EPHX1 370/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885HSD17B10 2132/4885EPHX1 1313/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 ALDH1A1 3457/4885HSD17B10 3958/4885EPHX1 3422/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 ALDH1A1 301/4885HSD17B10 712/4885EPHX1 2766/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 ALDH1A1 1492/4885HSD17B10 152/4885EPHX1 1600/4885
US-11713302-B2 Sulfonamide benzamide derivative and preparation method and application thereof PCNA, DNA2, HBS1L ALDH1A1 3483/4885HSD17B10 882/4885EPHX1 4442/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 ALDH1A1 4119/4885HSD17B10 1499/4885EPHX1 4091/4885
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 ALDH1A1 2568/4885HSD17B10 4760/4885EPHX1 2459/4885
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors POLRMT, MAVS, DHX15 ALDH1A1 789/4885HSD17B10 357/4885EPHX1 2001/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 ALDH1A1 106/4885HSD17B10 777/4885EPHX1 330/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 ALDH1A1 2017/4885HSD17B10 1828/4885EPHX1 1968/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 ALDH1A1 1492/4885HSD17B10 152/4885EPHX1 1600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.