SCHEMBL6840451

SCHEMBL6840451

CCCCCNC(=O)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.64
CASP2 P42575 1/20 0.52
POLB P06746 2/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
FAAH O00519 1/20 0.44

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
SCHEMBL17694454 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL5438759 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL5439873 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL26312872 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL13701713 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL24376776 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL21738174 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL19478069 0.98 EPHX1 (0.68) EPHX1CASP2POLBZDHHC20ZDHHC2
SCHEMBL2736685 0.93 EPHX1 (0.55) EPHX1POLBALDH1A1SMN1; SMN2
Sulfuric Acid SCHEMBL27634420 0.92 EPHX1 (0.61) EPHX1CASP2POLBZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-07-06 US disclosed
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-07-06 US disclosed
US-20220160887-A1 PROGRAMMABLE POLYMERIC DRUGS Sony Group Corporation (JP) 2022-05-26 US disclosed
US-10989715-B2 Ultra bright dimeric or polymeric dyes with spacing linker groups SONY CORPORATION (JP) 2021-04-27 US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20200284798-A1 ULTRA BRIGHT DIMERIC OR POLYMERIC DYES WITH SPACING LINKER GROUPS SONY CORPORATION (JP) 2020-09-10 US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 US disclosed
US-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US 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-20200284798-A1 ULTRA BRIGHT DIMERIC OR POLYMERIC DYES WITH SPACING LINKER GROUPS IK, MTCL3, RRM1 EPHX1 4538/4885CASP2 4197/4885POLB 3224/4885
US-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP EPHX1 2053/4885CASP2 466/4885POLB 733/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 EPHX1 3676/4885CASP2 1966/4885POLB 4824/4885
US-20220160887-A1 PROGRAMMABLE POLYMERIC DRUGS CHRM1, NCL, PBRM1 EPHX1 4563/4885CASP2 4337/4885POLB 887/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP EPHX1 2053/4885CASP2 466/4885POLB 733/4885
US-10989715-B2 Ultra bright dimeric or polymeric dyes with spacing linker groups IK, MTCL3, RRM1 EPHX1 4538/4885CASP2 4197/4885POLB 3224/4885
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS PLTP, LNPK, PLIN3 EPHX1 3199/4885CASP2 3008/4885POLB 1805/4885
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT EPHX1 1534/4885CASP2 2514/4885POLB 14/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 EPHX1 2454/4885CASP2 955/4885POLB 3968/4885
US-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 EPHX1 1725/4885CASP2 2511/4885POLB 2174/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 EPHX1 3735/4885CASP2 2653/4885POLB 3064/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 EPHX1 2454/4885CASP2 955/4885POLB 3968/4885
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 EPHX1 2164/4885CASP2 1085/4885POLB 3864/4885
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 EPHX1 4466/4885CASP2 1480/4885POLB 3026/4885

“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.