SCHEMBL6802648

SCHEMBL6802648

CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
CTSL P07711 1/20 0.43
AKT1 P31749 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRD4 O60885 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CNR2 P34972 1/20 0.41
ATM Q13315 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL6502501 0.92 LMNA (0.43) LMNAPOLBNR1H4BRD9CTSL
SCHEMBL10785428 0.91 SLC16A3 (0.43) LMNAPOLBNR1H4BRD9AKT1
SCHEMBL27718803 0.89 LMNA (0.45) LMNAPOLBBRD9CTSLAKT1
SCHEMBL7217624 0.88 NQO2 (0.41) LMNAPOLBNPSR1BRD9CTSL
SCHEMBL12474847 0.88 POLB (0.42) LMNAPOLBNR1H4BRD9AKT1
SCHEMBL15669430 0.87 CTSL (0.43) LMNAPOLBNPSR1CTSLITGB1
SCHEMBL1162987 0.85 NR1H4 (0.58) LMNAPOLBNR1H4BRD9RXFP1
SCHEMBL5757395 0.85 POLB (0.47) LMNAPOLBBRD9CTSLAKT1
SCHEMBL1772002 0.85 LMNA (0.47) LMNAPOLBNR1H4BRD9CTSL
SCHEMBL30619395 0.85 NR1H4 (0.58) LMNAPOLBNR1H4BRD9RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178452-A1 ANTIBODY-DRUG CONJUGATES TARGETING FOLATE RECEPTOR ALPHA AND METHODS OF USE ZYMEWORKS BC INC. (CA) 2023-09-28 WO disclosed
CN-107935988-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2018-04-20 CN disclosed
CN-105636945-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2017-11-17 CN disclosed
EP-2655377-B1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS SA (CH) 2016-03-30 EP disclosed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
CN-104837858-A Ketoamide immunoproteasome inhibitors HOFFMANN LA ROCHE 2015-08-12 CN disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 US disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 US disclosed
WO-2012085662-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-28 WO disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 US disclosed
US-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 US disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
EP-0796245-A1 PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE $g(b)-ALANINE UREA ANALOGS G.D. SEARLE & CO. (US) 1997-09-24 EP disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 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 (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-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 LMNA 1644/4885POLB 2994/4885NPSR1 3397/4885
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 LMNA 2576/4885POLB 4795/4885NPSR1 241/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 LMNA 1644/4885POLB 2994/4885NPSR1 3397/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 LMNA 2309/4885POLB 1457/4885NPSR1 1187/4885

“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.