SCHEMBL9611225

SCHEMBL9611225

C=CC1CC1(C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F10 P00742 5/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11976293 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1F10ATMLMNA
SCHEMBL12164497 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1F10ATMLMNA
SCHEMBL3429780 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1F10ATMLMNA
SCHEMBL30545409 0.84 F10 (0.36) ALDH1A1F10ATMLMNAPOLB
SCHEMBL1412659 0.80 ALDH1A1 (0.37) ALDH1A1NPSR1ATMLMNAPOLB
SCHEMBL14312213 0.80 ALDH1A1 (0.37) ALDH1A1NPSR1ATMLMNAPOLB
SCHEMBL14312248 0.80 ALDH1A1 (0.37) ALDH1A1NPSR1ATMLMNAPOLB
SCHEMBL15483710 0.79 CYP3A4 (0.35) ALDH1A1NPSR1ATMLMNAPOLB
SCHEMBL3281207 0.79 CYP3A4 (0.35) ALDH1A1NPSR1ATMLMNAPOLB
SCHEMBL8434138 0.79 CYP3A4 (0.35) ALDH1A1NPSR1ATMLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2015-01-29 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 US disclosed
US-8637449-B2 Processes for preparing protease inhibitors of hepatitis C virus MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-8299094-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-30 US disclosed
US-20120232247-A1 PROCESSES FOR PREPARING PROTEASE INHIBITORS OF HEPATITIS C VIRUS MERCK SHARP & DOHME CORP. 2012-09-13 US disclosed
US-20120135441-A1 ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES DR. REDDY'S LABORATORIES, INC. (US) 2012-05-31 US disclosed
US-20110311482-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 US disclosed
EP-2340830-A2 Hepatitis C Virus Inhibitors Bristol-Myers Squibb Company (US) 2011-07-06 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 (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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885NPSR1 2898/4885F10 934/4885
US-20120135441-A1 ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES APEH, ALAD, CES1 ALDH1A1 480/4885NPSR1 3982/4885F10 3287/4885
US-20120232247-A1 PROCESSES FOR PREPARING PROTEASE INHIBITORS OF HEPATITIS C VIRUS RNASE1, TMPRSS15, HAVCR2 ALDH1A1 1267/4885NPSR1 3504/4885F10 719/4885
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS HCCS, HAVCR2, EIF2AK2 ALDH1A1 1649/4885NPSR1 3787/4885F10 2513/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885NPSR1 2898/4885F10 934/4885
US-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885NPSR1 2898/4885F10 934/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885NPSR1 2898/4885F10 934/4885

“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.