SCHEMBL8905685

SCHEMBL8905685

CN(C)[C@@H](C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
ELOVL1 Q9BW60 1/20 0.44
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ATM Q13315 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MTOR P42345 1/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL19334232 1.00 ALDH1A1 (0.50) ALDH1A1GAAELOVL1HSP90AA1MAPT
SCHEMBL13224056 1.00 ALDH1A1 (0.50) ALDH1A1GAAELOVL1HSP90AA1MAPT
SCHEMBL20849994 0.85 ATM (0.43) ALDH1A1GAAELOVL1HSP90AA1MAPT
SCHEMBL19578343 0.85 ALDH1A1 (0.44) ALDH1A1GAAELOVL1AOC3KDM4E
SCHEMBL20849754 0.84 MTOR (0.41) ALDH1A1GAAHSP90AA1MAPTGPR55
SCHEMBL8910235 0.82 OPRM1 (0.43) ALDH1A1GAAHSP90AA1MAPTGPR55
SCHEMBL8908400 0.81 ALDH1A1 (0.44) ALDH1A1GAAAOC3CYP3A4
SCHEMBL8907267 0.81 CYP2C19 (0.36) ALDH1A1GAAELOVL1KDM4ECYP3A4
SCHEMBL10120515 0.81 ACP3 (0.41) ALDH1A1GAAMAPTAOC3MEN1
SCHEMBL14664133 0.81 ALDH1A1 (0.51) ALDH1A1GAAELOVL1HSP90AA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 ALDH1A1 1071/4885GAA 2783/4885ELOVL1 3954/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885GAA 285/4885ELOVL1 971/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885GAA 777/4885ELOVL1 3149/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885GAA 285/4885ELOVL1 971/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885GAA 701/4885ELOVL1 1278/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885GAA 433/4885ELOVL1 1596/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885ELOVL1 1708/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885GAA 169/4885ELOVL1 1596/4885

“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.