SCHEMBL1869110

SCHEMBL1869110

CCCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
CHRM1 P11229 1/20 0.59
AKR1A1 P14550 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
DRD3 P35462 1/20 0.59
SLC6A3 Q01959 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 1/20 0.52
MMP2 P08253 2/20 0.50
MMP3 P08254 2/20 0.50
GRIK1 P39086 1/20 0.49
TSHR P16473 1/20 0.49
PTGES O14684 2/20 0.48
ALOX5 P09917 2/20 0.48
PPARG P37231 2/20 0.48

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
SCHEMBL1857365 0.90 CYP1A2 (0.61) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL473644 0.89 MMP2 (0.61) MMP2MMP3GRIK1PTGESALOX5
SCHEMBL1861360 0.89 GRIK1 (0.62) HDAC1HDAC2CHRM1AKR1A1CHRM3
Water SCHEMBL4010621 0.88 CYP1A2 (0.59) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL5510828 0.88 GRIK1 (0.56) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL8904812 0.88 MMP2 (0.56) CYP1A2MMP2MMP3GRIK1PTGES
SCHEMBL585398 0.87 CYP1A2 (0.59) CYP1A2MMP2MMP3GRIK1TSHR
SCHEMBL1716640 0.86 MMP2 (0.55) MMP2MMP3GRIK1PTGESALOX5
SCHEMBL7077500 0.86 MMP2 (0.55) MMP2MMP3GRIK1PTGESALOX5
SCHEMBL8905851 0.86 MMP2 (0.55) MMP2MMP3GRIK1PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US claimed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO claimed
CN-101370467-A Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC (US) 2009-02-18 CN claimed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN claimed
EP-3360175-B1 FORMULATIONS COMPRISING AT LEAST TWO ORGANIC SEMICONDUCTING COMPOUNDS AND AT LEAST TWO SOLVENTS MERCK PATENT GMBH (DE) 2023-05-17 EP disclosed
US-11427700-B2 Method of manufacturing rubber composition KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2022-08-30 US disclosed
US-10686132-B2 Formulations comprising organic at least two semiconducting compounds and at least two solvents MERCK PATENT GMBH (DE) 2020-06-16 US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
US-20190115536-A1 FORMULATIONS COMPRISING ORGANIC AT LEAST TWO SEMICONDUCTING COMPOUNDS AND AT LEAST TWO SOLVENTS MERCK PATENT GMBH (DE) 2019-04-18 US disclosed
CN-108367178-A Has the composition of stable taste and smell 西姆莱斯股份公司 2018-08-03 CN disclosed
CN-101370467-A Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC (US) 2009-02-18 CN disclosed
EP-1986589-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2008-11-05 EP disclosed
WO-2007087278-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC (US) 2007-08-02 WO disclosed
US-20070172437-A1 Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC. 2007-07-26 US disclosed
CN-1090186-C HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS MERCK & CO INC (US) 2002-09-04 CN disclosed
CN-1176250-A HIV protease inhibitors useful for treatment of AIDS MERCK & CO INC (US) 1998-03-18 CN disclosed
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
US-4523912-A Mineral tooth with silane-coupled adhesive plastic part VEB KOMBINAT MEDIZIN-UND LABORTECHNIK LEIPZIG (DD) 1985-06-18 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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 HDAC1 243/4885HDAC2 1165/4885CHRM1 1980/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 HDAC1 243/4885HDAC2 1165/4885CHRM1 1980/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS HDAC1 1153/4885HDAC2 1328/4885CHRM1 151/4885
US-20070172437-A1 Solubilizing agents for active or functional organic compounds CEL, PIGO, ERG28 HDAC1 172/4885HDAC2 417/4885CHRM1 1390/4885

“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.