SCHEMBL5492174

SCHEMBL5492174

COc1cc(C(=O)O)ccc1OCCCOc1ccc(C(=O)O)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA7 P43166 1/20 0.73
TPMT P51580 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
PRSS1 P07477 4/20 0.64
MRGPRX4 Q96LA9 1/20 0.62
PLA2G4B P0C869 1/20 0.61
MAPT P10636 1/20 0.60
TTR P02766 1/20 0.59

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
SCHEMBL8122418 0.98 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL21614005 0.97 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL30683868 0.95 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL89386 0.95 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL8085474 0.95 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL30622523 0.92 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL1750327 0.92 TSHR (0.74) TSHRCA12CA1CA2CA4
SCHEMBL1545237 0.92 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL19970616 0.92 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL2329752 0.92 TSHR (0.74) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380743-A1 ULTRAVIOLET-RAY ABSORBING POLYMER, FORMATION RESIN COMPOSITION, AND FORMED BODY TOYO INK SC HOLDINGS CO., LTD. (JP) 2021-12-09 US disclosed
US-9950996-B2 Bio-based aromatic diisocyanates for preparation of polyurethanes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20170369427-A1 BIO-BASED AROMATIC DIISOCYANATES FOR PREPARATION OF POLYURETHANES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-28 US disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
US-20060148788-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-07-06 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
US-20030195196-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-10-16 US disclosed
EP-1109811-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2003-08-06 EP disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP disclosed
EP-0637613-B1 RESIN COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2000-10-25 EP disclosed
US-6110578-A STRUCTURAL UNIT DERIVED FROM HYDROXYCARBOXYLIC ACID, A STRUCTURAL UNIT DERIVED FROM MOLECULAR WEIGHT INCREASING AGENT AND/OR A STRUCTURAL UNIT DERIVED FROM POLYMERIZATION CATALYST DEACTIVATOR. DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-08-29 US disclosed
US-5543474-A BLEND OF A AROMATIC POLYAMIDEIMIDE COPOLYMER AND A POLYESTER MITSUBISHI GAS COMPANY, INC. (JP) 1996-08-06 US disclosed
EP-0637613-A1 RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-02-08 EP disclosed
EP-0282052-B1 POLYPHENYLENE ETHER RESIN COMPOSITION MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-10-14 EP disclosed
EP-0148774-B1 POLYPHENYLENE ETHER RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-05-22 EP disclosed
US-4879360-A POLYESTER, EPOXIDIZED POLYBUTADIENE MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-11-07 US disclosed
US-4614773-A AROMATIC POLYESTERS EPOXY RESINS, UNSATURATED ACIDS; SOLVENT RESISTANCE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-09-30 US disclosed
EP-0148774-A2 Polyphenylene ether resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-17 EP 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 (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-20170369427-A1 BIO-BASED AROMATIC DIISOCYANATES FOR PREPARATION OF POLYURETHANES PAH, ALKBH3, AOC3 TSHR 4834/4885CA12 2797/4885CA1 2869/4885
US-20060148788-A1 Pyrrolobenzodiazepines HCRTR2, MCHR2, CHRM5 TSHR 425/4885CA12 3939/4885CA1 4526/4885
US-20030195196-A1 Pyrrolobenzodiazepines CNR2, CNR1, HRH3 TSHR 526/4885CA12 471/4885CA1 1030/4885

“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.