SCHEMBL4598039

SCHEMBL4598039

CCC(=O)c1cccc(F)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.60
P2RX1 P51575 1/20 0.45
P2RX7 Q99572 1/20 0.45
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
BCHE P06276 1/20 0.44
HSP90AB1 P08238 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ERN1 O75460 1/20 0.41
PDK2 Q15119 1/20 0.41
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
GABRA1 P14867 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
SCHEMBL1260174 0.85 ALB (0.56) ALBP2RX1P2RX7CES2CES1
SCHEMBL19235964 0.82 HSP90AB1 (0.48) ALBCES2CES1HSP90AB1MEN1
SCHEMBL31599609 0.82 CES2 (0.61) ALBCES2CES1BCHEHSP90AB1
SCHEMBL633282 0.82 CES2 (0.61) ALBCES2CES1BCHEHSP90AB1
SCHEMBL1155949 0.82 PTPN1 (0.58) CES2CES1RXFP1PTPN1ERCC5
SCHEMBL30036725 0.82 PTPN1 (0.58) CES2CES1RXFP1PTPN1ERCC5
SCHEMBL1606580 0.80 HSP90AB1 (0.55) HSP90AB1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9118756 0.79 CES2 (0.47) ALBCES2CES1BCHEHSP90AB1
SCHEMBL4103677 0.79 PDK2 (0.43) ALBCES2CES1BCHERXFP1
SCHEMBL17858663 0.79 CES2 (0.42) ALBCES2CES1BCHEHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1662518-A Process for preparing epoxytriazole derivatives and intermediates used therein SUMITOMO CHEMICAL CO (JP) 2005-08-31 CN claimed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
CN-109574945-A Isoxazoline derivative and its application in agricultural 东莞东阳光科研发有限公司 2019-04-05 CN disclosed
CN-102245587-A Trpv1 antagonists ABBOTT LAB 2011-11-16 CN disclosed
CN-102186836-A Trpv1 antagonists ABBOTT LAB 2011-09-14 CN disclosed
CN-101827585-A Solid dispersion product containing N-aryl ureido compound ABBOTT GMBH & CO KG 2010-09-08 CN disclosed
CN-100503544-C Intermediate for producing epoxytriazole derivative SUMITOMO CHEMICAL CO (JP) 2009-06-24 CN disclosed
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1861379-A1 TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-05 EP disclosed
CN-1970522-A Production methods of epoxytriazole derivative and intermediate therefor SUMITOMO CHEMICAL CO (JP) 2007-05-30 CN disclosed
CN-1298711-C Process for preparing epoxytriazole derivatives and intermediates used therein SUMITOMO CHEMICAL CO (JP) 2007-02-07 CN disclosed
US-20060229305-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-10-12 US disclosed
WO-2006100100-A1 TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 WO disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed
CN-1662518-A Process for preparing epoxytriazole derivatives and intermediates used therein SUMITOMO CHEMICAL CO (JP) 2005-08-31 CN disclosed
CN-1087017-C Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-03 CN disclosed
CN-1175950-A Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-11 CN disclosed
EP-0809640-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-03 EP disclosed
WO-1996025410-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-22 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 (3 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-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 ALB 1573/4885P2RX1 1042/4885P2RX7 810/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 ALB 1823/4885P2RX1 215/4885P2RX7 183/4885
US-20060229305-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, TNF, DHPS ALB 2228/4885P2RX1 1313/4885P2RX7 991/4885

“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.