SCHEMBL3415124

SCHEMBL3415124

COC(OC)c1ccccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSPA5 P11021 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28783842 0.87 AOC3 (0.33) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL21806628 0.80 CYP4F2 (0.41) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL29156112 0.80 APOBEC3G (0.36) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL26620310 0.79 ALDH1A1 (0.34) ALDH1A1AOC3TSHRIDO1FABP4
SCHEMBL4367933 0.78 GABRA1 (0.45) GABRA1ALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL17864869 0.77 ESR1 (0.40) GABRA1GABRG2GABRB3ALDH1A1CYP3A4
SCHEMBL23257382 0.76 POLB (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL31039404 0.76 POLB (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9601379 0.76 DPP4 (0.39) PDCD1CD274ALDH1A1CYP2C19L3MBTL1
SCHEMBL357956 0.76 GABRA1 (0.58) APOBEC3GGABRA1GABRG2GABRB3PDCD1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
CN-110891951-A Compound (I) 谢菲尔德大学 2020-03-17 CN disclosed
US-9944663-B2 Process for preparing substituted pentacenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-04-17 US disclosed
US-20120305854-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-8318048-B2 Process for preparing substituted pentacenes MERCK PATENT GMBH (DE) 2012-11-27 US disclosed
EP-2134725-B1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GMBH (DE) 2012-07-04 EP disclosed
US-20100127220-A1 Process for Preparing Substituted Pentacenes MERCK PATENT GMBH (DE) 2010-05-27 US disclosed
EP-2134725-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES Merck Patent GmbH (DE) 2009-12-23 EP disclosed
WO-2008128618-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GMBH (DE) 2008-10-30 WO disclosed
US-7365061-B2 2-Amino-3-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-29 US disclosed
WO-2006055463-A2 2-AMINO-3-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed
US-20060111413-A1 Antidiabetic agents, anticancer, non-cardiac ischemia, infection, hypertension, obesity and dislipidemia; 3-(5-chloroindole-2-carbonylamino)-2-hydroxy-1,2,3,4-tetrahydronaphthalene BRISTOL-MYERS SQUIBB COMPANY 2006-05-25 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 (4 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-20100127220-A1 Process for Preparing Substituted Pentacenes FES, PFAS, SLC46A1 APOBEC3G 4635/4885GABRA1 4129/4885GABRG2 4389/4885
US-20120305854-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES FES, PFAS, SLC46A1 APOBEC3G 4635/4885GABRA1 4129/4885GABRG2 4389/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 APOBEC3G 4088/4885GABRA1 3215/4885GABRG2 3115/4885
US-20060111413-A1 Antidiabetic agents, anticancer, non-cardiac ischemia, infection, hypertension, obesity and dislipidemia; 3-(5-chloroindole-2-carbonylamino)-2-hydroxy-1,2,3,4-tetrahydronaphthalene PYGM, PON1, GYS1 APOBEC3G 4683/4885GABRA1 4878/4885GABRG2 4885/4885

“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.