SCHEMBL102647

SCHEMBL102647

Sc1ccc2cccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
BCL2L1 Q07817 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
CYP2A6 P11509 1/20 0.46
BACE1 P56817 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTGS2 P35354 1/20 0.41
DPP4 P27487 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KIF11 P52732 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
BCAT2 O15382 1/20 0.38

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
SCHEMBL12609346 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
SCHEMBL164357 0.92 ALDH1A1 (0.48) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
SCHEMBL27455692 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
SCHEMBL27326199 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
Biphenyl SCHEMBL3199503 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
SCHEMBL3893272 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
Biphenyl SCHEMBL16581537 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
SCHEMBL27855749 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
Benzenethiol SCHEMBL7134302 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
Benzenethiol SCHEMBL3902726 0.84 KMT2A (0.39) ALDH1A1HSD17B10BCL2L1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107022329-B Aqueous adhesive composition and use thereof 日东电工株式会社 2024-05-28 CN disclosed
US-20230096721-A1 METAL-ORGANIC FRAMEWORK WITH CARBOXYLIC ACID ION HAVING TERPHENYL SKELETON AS LIGAND RIKKYO EDUCATIONAL CORPORATION (JP) 2023-03-30 US disclosed
EP-4112595-A1 METAL-ORGANIC FRAMEWORK WITH CARBOXYLIC ACID ION HAVING TERPHENYL SKELETON AS LIGAND Rikkyo Educational Corporation (JP) 2023-01-04 EP disclosed
CN-115151523-A Metal-organic structure having carboxylate ion having terphenyl skeleton as ligand 学校法人立教学院 2022-10-04 CN disclosed
CN-114828999-A Gas storage materials containing metal-organic structures bound via hydroxamic acids 学校法人立教学院 2022-07-29 CN disclosed
US-11267797-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2022-03-08 US disclosed
CN-105503699-B Oxocarbon compound, resin composition containing the same, and filter containing the resin composition 株式会社日本触媒 2021-05-11 CN disclosed
US-20200317630-A1 ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2020-10-08 US disclosed
US-10689355-B2 Anticancer agent Kyoto Pharmaceuticals Industries, Ltd. (JP) 2020-06-23 US disclosed
EP-3153508-B1 NAPHTHOFURAN DERIVATIVES FOR USE AS ANTICANCER AGENTS KYOTO PHARMA IND (JP) 2020-03-18 EP disclosed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP disclosed
EP-1001932-A1 CONJUGATES OF DITHIOCARBAMATES WITH PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR Medinox, Inc. (US) 2000-05-24 EP disclosed
WO-1999040787-A1 MODIFIED PHARMACOLOGICALLY ACTIVE AGENTS AND IMPROVED THERAPEUTIC METHODS EMPLOYING SAME MEDINOX, INC. (US) 1999-08-19 WO disclosed
WO-1998055453-A1 CONJUGATES OF DITHIOCARBAMATES WITH PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 1998-12-10 WO 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 (7 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 ALDH1A1 112/4885HSD17B10 499/4885BCL2L1 3684/4885
US-20200317630-A1 ANTICANCER AGENT TP53, NTPCR, NQO1 ALDH1A1 160/4885HSD17B10 1095/4885BCL2L1 1116/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF ALDH1A1 930/4885HSD17B10 2323/4885BCL2L1 1261/4885
US-11267797-B2 Anticancer agent TP53, NTPCR, NQO1 ALDH1A1 160/4885HSD17B10 1095/4885BCL2L1 1116/4885
US-10689355-B2 Anticancer agent TP53, NTPCR, NQO1 ALDH1A1 160/4885HSD17B10 1095/4885BCL2L1 1116/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 ALDH1A1 1391/4885HSD17B10 3089/4885BCL2L1 885/4885
US-20230096721-A1 METAL-ORGANIC FRAMEWORK WITH CARBOXYLIC ACID ION HAVING TERPHENYL SKELETON AS LIGAND SCO2, SLCO2A1, OXGR1 ALDH1A1 1091/4885HSD17B10 836/4885BCL2L1 3752/4885

“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.