SCHEMBL2774081

SCHEMBL2774081

CC(C)(C)SC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CES1 P23141 6/20 0.44
TSHR P16473 4/20 0.44
CES2 O00748 4/20 0.44
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CACNA1D Q01668 1/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL2773946 0.94 CA12 (0.41) NPC1RAB9ACES1TSHRCES2
SCHEMBL2768683 0.83 CES2 (0.42) NPC1RAB9ACES1CES2ALDH1A1
SCHEMBL1356205 0.83 TSHR (0.41) NPC1RAB9ACES1TSHRCES2
SCHEMBL10499364 0.80 ESR1 (0.46) TSHRCES2HSD17B10CYP3A4MAPT
SCHEMBL27780014 0.77 CES1 (0.52) NPC1RAB9ACES1TSHRCES2
SCHEMBL28764415 0.77 CES2 (0.55) NPC1RAB9ACES1CES2ALDH1A1
SCHEMBL27892938 0.76 CES1 (0.42) CES1TSHRCES2ALDH1A1DAO
SCHEMBL7826990 0.74 KMT2A (0.57) NPC1RAB9ACES1ALDH1A1TDP1
SCHEMBL812709 0.73 KMT2A (0.56) RAB9ACES1TSHRCES2ALDH1A1
SCHEMBL236901 0.73 ALDH1A1 (0.41) NPC1RAB9ACES1TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003799-B2 For agriculture BAYER SAS (FR) 2011-08-23 US disclosed
US-8003799-B2 For agriculture BAYER SAS (FR) 2011-08-23 US disclosed
US-7714075-B1 Polymerization with living characteristics COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-05-11 US disclosed
US-7666962-B2 Polymerization with living characteristics COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-02-23 US disclosed
US-7662986-B2 Polymerization with living characteristics COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-02-16 US disclosed
CN-100473646-C Polymerization with living characteristics COMMW SCIENT IND RES ORG (AU) 2009-04-01 CN disclosed
US-20080139836-A1 Polymerization with living characteristics LE TAM PHUONG 2008-06-12 US disclosed
US-20080139764-A1 Polymerization with living characteristics COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-06-12 US disclosed
CN-1331851-C Chain transfer agent DU PONT (US) 2007-08-15 CN disclosed
US-7250479-B2 Polymerization with living characteristics E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-31 US disclosed
CN-1673216-A Chain transfer agent DU PONT (US) 2005-09-28 CN disclosed
US-20040171777-A1 Polymerization with living characteristics COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-09-02 US disclosed
CN-1500813-A Polymerization with living characteristics ��Ļ���Ű˾ 2004-06-02 CN disclosed
CN-1137144-C Polymerization with living characteristics ��Ļ���Ű˾ 2004-02-04 CN disclosed
EP-0910587-B1 POLYMERIZATION WITH LIVING CHARACTERISTICS DU PONT (US) 2001-12-12 EP disclosed
CN-1228787-A Polymerization with living characteristics DU PONT (US) 1999-09-15 CN disclosed
EP-0910587-A1 POLYMERIZATION WITH LIVING CHARACTERISTICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-28 EP disclosed
WO-1998001478-A1 POLYMERIZATION WITH LIVING CHARACTERISTICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-01-15 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 (1 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-20080139836-A1 Polymerization with living characteristics UQCRB, MTR, UQCRC2 NPC1 4727/4885RAB9A 4194/4885CES1 2481/4885

“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.