SCHEMBL101600

SCHEMBL101600

CC1(C)C=CC=CC1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APLNR P35414 1/20 0.30

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
SCHEMBL27450599 0.84
SCHEMBL27555408 0.82
SCHEMBL1198132 0.80 POLB (0.30) POLBCTDSP1TDP1
SCHEMBL22471599 0.80
SCHEMBL39164 0.80 POLB (0.30) POLBCTDSP1TDP1
SCHEMBL8701485 0.80
Ammonia Solution, Strong SCHEMBL5312428 0.78
SCHEMBL14843749 0.78
SCHEMBL3039828 0.78
SCHEMBL18091836 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022222272-A1 SYNTHESIS PROCESS OF 2-METHYL-3-METHOXYBENZOIC ACID 江苏永安化工有限公司 2022-10-27 WO claimed
US-9328067-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-03 US claimed
US-8822530-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-09-02 US claimed
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-26 US claimed
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-07-25 US claimed
EP-3856734-B1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2025-09-24 EP disclosed
US-12227526-B2 Metal-organic framework materials comprising a diimine scaffold and methods for production thereof ExxonMobil Technology and Engineering Company (US) 2025-02-18 US disclosed
EP-3947396-B1 METAL-ORGANIC FRAMEWORK MATERIALS COMPRISING A DIIMINE SCAFFOLD AND METHODS FOR PRODUCTION THEREOF EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2024-12-11 EP disclosed
US-12065422-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-08-20 US disclosed
CN-117279910-A Modulators of BCL6 proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2023-12-22 CN disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-11608322-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-21 US disclosed
US-6127371-A FOR TREATMENT OR PREVENTION OF CARDIOVASCULAR AND RENAL DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5985886-A USEFUL IN THE TREATMENT OF A VARIETY OF CARDIOVASCULAR AND RENAL DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-11-16 US disclosed
US-5942516-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1999-08-24 US disclosed
EP-0854721-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-12-02 EP disclosed
EP-0854721-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-29 EP disclosed
EP-0817782-A1 PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
WO-1997004781-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed
WO-1996030358-A1 PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 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 (6 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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH POLB 1695/4885CTDSP1 1191/4885TDP1 4332/4885
US-20130190338-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 POLB 3493/4885CTDSP1 3159/4885TDP1 4797/4885
US-12227526-B2 Metal-organic framework materials comprising a diimine scaffold and methods for production thereof PICALM, ILK, CAD POLB 4294/4885CTDSP1 3529/4885TDP1 3469/4885
US-11608322-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH POLB 1685/4885CTDSP1 1017/4885TDP1 4282/4885
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 POLB 3493/4885CTDSP1 3159/4885TDP1 4797/4885
US-12065422-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH POLB 1685/4885CTDSP1 1017/4885TDP1 4282/4885

“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.