SCHEMBL536808

SCHEMBL536808

O=[C]c1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
TP53 P04637 1/20 0.63
SRD5A2 P31213 4/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50

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
Bicarbonate SCHEMBL11402475 0.83 TSHR (0.35) TSHRTP53CA1CA2CA9
SCHEMBL11238566 0.81 SRD5A2 (0.50) SRD5A2CA1CA2ALDH1A1
SCHEMBL29789030 0.81 RARB (0.69) TSHRTP53SRD5A2CA1CA2
SCHEMBL69572 0.81 RARB (0.69) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL28240782 0.80 TSHR (0.75) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL175823 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL2511919 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL5053781 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL1655 0.80 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Hydrochloric Acid SCHEMBL5666955 0.79 RARB (0.67) TSHRTP53SRD5A2CA1CA2

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 1308 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
CN-106103463-B Bridging type nucleosides and nucleotide 国立大学法人大阪大学 2018-11-30 CN claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
EP-3109254-B1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE UNIV OSAKA (JP) 2018-04-11 EP claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
EP-2632576-B1 METHOD FOR MAKING A COMPOSITE POLYAMIDE MEMBRANE DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-08 EP claimed
US-20140193752-A1 STABILIZED ACID AMPLIFIERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 US claimed
US-8501382-B1 Acid amplifiers THE RESEARCH FOUNDATION OF STATE UNIV. OF NEW YORK (US) 2013-08-06 US claimed
WO-2012135286-A2 STABILIZED ACID AMPLIFIERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-10-04 WO claimed
EP-0724585-A1 HYDANTOIN DERIVATIVES AND THEIR USE AS BLEACH ACTIVATORS DEGUSSA (DE) 1996-08-07 EP claimed
US-5504076-A Cephalosporin compounds PFIZER INC. (US) 1996-04-02 US claimed
WO-1995014021-A1 HYDANTOIN DERIVATIVES AND THEIR USE AS BLEACH ACTIVATORS DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-05-26 WO claimed
CN-1094035-A Carboxylic acid derivative contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-10-26 CN claimed
US-5266696-A Colorfast dyes, dyeing, printing and dyed fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-30 US claimed
US-5112971-A ANTHRAQUINONE DYE COMPOUNDS HAVING FIBERS REACTIVE GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-12 US claimed
CN-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN claimed
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 EP claimed
EP-0133225-B1 PEPTIDE DERIVATIVES AND THEIR SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM, PROCESS AND INTERMEDIATES FOR THEIR PRODUCTION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-10-19 EP claimed
US-4623639-A ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-11-18 US claimed

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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 TSHR 777/4885TP53 4689/4885SRD5A2 1917/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 TSHR 771/4885TP53 4685/4885SRD5A2 1894/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 TSHR 771/4885TP53 4685/4885SRD5A2 1894/4885

“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.