SCHEMBL3226201

SCHEMBL3226201

CCOC(=O)Cc1ccc2c(c1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
CLK1 P49759 1/20 0.52
MAPT P10636 3/20 0.48
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
POLB P06746 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM4 P08173 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM2 P08172 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18392699 0.90 RAB9A (0.56) RAB9ANPC1CLK1MAPTTP53
SCHEMBL338133 0.86 CYP4F2 (0.51) RAB9ANPC1CLK1POLBCYP4F2
SCHEMBL4521074 0.86 RAB9A (0.52) RAB9ANPC1MAPTCASP3CASP7
SCHEMBL4140012 0.84 RAB9A (0.58) RAB9ANPC1MAPTPOLBTP53
SCHEMBL4678364 0.81 RAB9A (0.52) RAB9ANPC1CLK1MAPTCASP3
SCHEMBL2777357 0.79 RAB9A (0.52) RAB9ANPC1MAPTCASP3CASP7
SCHEMBL1403662 0.79 FABP4 (0.56) RAB9ANPC1MAPTCASP3CASP7
SCHEMBL31478141 0.79 LMNA (0.46) RAB9ANPC1MAPTCYP4F2CYP4A11
SCHEMBL852863 0.78 ALDH1A1 (0.56) RAB9ANPC1CLK1MAPTPOLB
SCHEMBL7986608 0.78 CYP3A4 (0.61) RAB9ANPC1MAPTTP53TSHR

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-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
WO-2009006413-A1 SUBSTITUTED PYRROLIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
WO-2009006413-A1 SUBSTITUTED PYRROLIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005431-A1 SUBSTITUTED PYRROLIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20090005431-A1 SUBSTITUTED PYRROLIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20090005431-A1 SUBSTITUTED PYRROLIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 US disclosed
EP-0132130-B1 AROYL BENZOFURAN AND BENZOTHIOPHENE ACETIC AND PROPIONIC ACIDS PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1990-03-07 EP disclosed
US-4816473-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS SYNTEX (U.S.A.) INC. (US) 1989-03-28 US disclosed
US-4780480-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1988-10-25 US disclosed
EP-0132130-A2 Aroyl benzofuran and benzothiophene acetic and propionic acids processes for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-23 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 (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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 RAB9A 912/4885NPC1 112/4885CLK1 4873/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 RAB9A 985/4885NPC1 378/4885CLK1 4864/4885
US-20090005431-A1 SUBSTITUTED PYRROLIDINES CHRM3, CHRM2, CHRM5 RAB9A 1053/4885NPC1 1668/4885CLK1 4498/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 RAB9A 1060/4885NPC1 737/4885CLK1 4853/4885

“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.