SCHEMBL731485

SCHEMBL731485

CCOc1cc(C(=O)O)cc(OCC)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
HSD17B10 Q99714 1/20 0.56
POLB P06746 3/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
CASP6 P55212 1/20 0.49
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
LMNA P02545 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL9275744 0.90 TSHR (0.51) TSHRHSD17B10POLBALOX15HTT
SCHEMBL10111303 0.85 CREBBP (0.53) TSHRHSD17B10HTTNCOA1NCOA3
SCHEMBL2664838 0.84 PLA2G2A (0.54) TSHR
SCHEMBL1515929 0.82 TSHR (0.59) TSHRHSD17B10POLBALOX15HTT
SCHEMBL504156 0.82 TSHR (0.70) TSHRPOLBALOX15HTTLMNA
SCHEMBL9048230 0.82 CA12 (0.62) TSHRHSD17B10POLBALOX15HTT
SCHEMBL29633638 0.82 TSHR (0.59) TSHRHSD17B10POLBALOX15HTT
SCHEMBL731013 0.81 LMNA (0.50) TSHRHSD17B10POLBNCOA1NCOA3
SCHEMBL12603750 0.81 EGFR (0.48) TSHRHSD17B10POLBHTTCA12
SCHEMBL289285 0.81 CA12 (0.55) TSHRHSD17B10NCOA1NCOA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
WO-2010002010-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-01-07 WO disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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 (5 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 TSHR 733/4885HSD17B10 2545/4885POLB 4112/4885
US-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 TSHR 680/4885HSD17B10 855/4885POLB 3207/4885
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR LPAR1, LPAR2, LPAR3 TSHR 733/4885HSD17B10 2545/4885POLB 4112/4885
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS CNKSR1, CBR1, CBR3 TSHR 932/4885HSD17B10 228/4885POLB 3574/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TSHR 704/4885HSD17B10 882/4885POLB 3821/4885

“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.