SCHEMBL1237691

SCHEMBL1237691

O=C(O)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 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 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
CA5B Q9Y2D0 1/20 0.52
ANPEP P15144 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
DAO P14920 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
SCHEMBL20385202 0.93 CA12 (0.56) TSHRTP53SRD5A2CA1CA2
SCHEMBL21939536 0.93 CA12 (0.56) TSHRTP53SRD5A2CA1CA2
SCHEMBL18712171 0.87 RARB (0.55) TSHRTP53SRD5A2CA1CA2
SCHEMBL21133756 0.87 EGFR (0.56) TSHRTP53CA1CA2CA12
SCHEMBL4640939 0.84 SRD5A2 (0.68) TSHRTP53SRD5A2CA1CA2
SCHEMBL10660558 0.84 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL23620892 0.82 KDM4E (0.57) TSHRTP53CA1CA12CA9
SCHEMBL18653583 0.82 ALDH1A1 (0.47) TSHRTP53SRD5A2CA1CA2
SCHEMBL900831 0.81 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL1596408 0.81 TSHR (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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255663-A Extraction method and application of 3, 4-dihydroxymethyl benzoate 大理大学 2024-06-28 CN disclosed
CN-118255663-A Extraction method and application of 3, 4-dihydroxymethyl benzoate 大理大学 2024-06-28 CN disclosed
EP-3687969-B1 METHOD OF PREPARING ESTERS OF TEREPHTHALIC ACID SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2023-08-02 EP disclosed
US-20190201308-A1 METHOD FOR COLORING HAIR NOXELL CORPORATION 2019-07-04 US disclosed
EP-3296285-B1 ESTER-BASED COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR PREPARING SAME, AND RESIN COMPOSITION CONTAINING SAME LG CHEMICAL LTD (KR) 2019-04-24 EP disclosed
WO-2019066671-A1 METHOD OF PREPARING ESTERS OF TEREPHTHALIC ACID PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2019-04-04 WO disclosed
US-20190040197-A1 Modifying agent, polyamide copolymer synthesized using modifying agent and method for preparing polyamide copolymer NATIONAL TAIPEI UNIVERSITY OF TECHNOLOGY (TW) 2019-02-07 US disclosed
US-9732168-B2 Method of preparing ethylene polymers by controlled high pressure polymerization BASF SE (DE) 2017-08-15 US disclosed
US-9623046-B2 Amphiphilic Janus-dendrimers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-04-18 US disclosed
US-8962721-B2 Nucleating agents for polyolefins based on acetal compounds RELIANCE INDUSTRIES LIMITED (IN) 2015-02-24 US disclosed
EP-1560837-B1 NOVEL AMPIPHILIC DERIVATIVES OF ALPHA-C-PHENYL N-TERT-BUTYL NITRONE TS PHARMA (FR) 2009-08-05 EP disclosed
CN-1922157-A Benzo [ d ] isoxazol-3-ol DAAO inhibitors SEPRACOR INC (US) 2007-02-28 CN disclosed
CN-1288497-C Photo sensitive composition and negative lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2006-12-06 CN disclosed
CN-1777627-A Polyquinoline copolymer having branched structure and organic electroluminescent element using the same HITACHI CHEMICAL CO LTD (JP) 2006-05-24 CN disclosed
CN-1388412-A Photo sensitive composition and negative lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2003-01-01 CN disclosed
EP-0714390-B1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE-1-INHIBITORS PFIZER LTD (GB) 2000-01-12 EP disclosed
US-5912357-A Indole derivatives as 5-α-reductase-1-inhibitors PFIZER INC (US) 1999-06-15 US disclosed
EP-0714390-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE-1-INHIBITORS Pfizer Limited (GB) 1996-06-05 EP disclosed
WO-1995005375-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE-1-INHIBITORS PFIZER LIMITED (GB) 1995-02-23 WO disclosed
US-4352745-A PARTIALLY NEUTRALIZED PHOSPHORIC ACID, BORIC ACID STANDARD OIL COMPANY (INDIANA) (US) 1982-10-05 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 (2 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-20190201308-A1 METHOD FOR COLORING HAIR TYR, CYB5R3, ALDH1A3 TSHR 2219/4885TP53 2000/4885SRD5A2 204/4885
US-20190040197-A1 Modifying agent, polyamide copolymer synthesized using modifying agent and method for preparing polyamide copolymer SRM, PAM, NAAA TSHR 3613/4885TP53 4687/4885SRD5A2 2961/4885

“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.