SCHEMBL250271

SCHEMBL250271

C=CCC(=CC(N)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
FGFR4 P22455 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ABAT P80404 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL250269 1.00 TSHR (0.38) TSHRALDH1A1FGFR4KDM4EABAT
SCHEMBL4557964 0.84 ALDH1A1 (0.39) TSHRALDH1A1FGFR4
SCHEMBL9281800 0.84 ALDH1A1 (0.39) TSHRALDH1A1FGFR4
SCHEMBL4557967 0.84 ALDH1A1 (0.39) TSHRALDH1A1FGFR4
SCHEMBL910007 0.81 KDM4E (0.52) TSHRKDM4E
SCHEMBL910009 0.81 KDM4E (0.52) TSHRKDM4E
SCHEMBL4640514 0.81 KDM4E (0.52) TSHRKDM4E
SCHEMBL7771088 0.78 TSHR (0.52) TSHRALDH1A1FGFR4KDM4EABAT
SCHEMBL7771087 0.78 TSHR (0.52) TSHRALDH1A1FGFR4KDM4EABAT
SCHEMBL45772 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936294-B A kind of N- cetyl maleamic acid-lanthanum (III)-shepardite compound 西安科技大学 2019-10-08 CN claimed
CN-107936294-A A kind of N cetyls maleamic acid lanthanum (III) shepardite compound 西安科技大学 2018-04-20 CN claimed
US-5698270-A Process for the preparation of antiscratch and antiabrasion shaped articles based on acrylic polymers ATOHAAS HOLDING C.V. 1997-12-16 US claimed
US-4915102-A Applying a film layer to the skin BERTEK, INC. (US) 1990-04-10 US claimed
US-4134815-A Amphoteric composite resins and method of preparing same by polymerization of a two-phase dispersion of monomers ICI AUSTRALIA LIMITED (AU) 1979-01-16 US claimed
EP-3980006-A2 TOPICAL TIME RELEASE DELIVERY USING LAYERED BIOPOLYMER Diomics Corporation (US) 2022-04-13 EP disclosed
CN-113061290-B Nitrogen heterocyclic ring rare earth stabilizer 常州佑佳新材料科技有限公司 2021-12-14 CN disclosed
CN-113061290-A Nitrogen heterocyclic ring rare earth stabilizer 常州佑佳新材料科技有限公司 2021-07-02 CN disclosed
EP-3116861-B1 SMALL MOLECULES FOR INHIBITING MALE FERTILITY UNIV NORTH CAROLINA CHAPEL HILL (US) 2020-12-16 EP disclosed
WO-2020247874-A2 TOPICAL TIME RELEASE DELIVERY USING LAYERED BIOPOLYMER DIOMICS CORPORATION (US) 2020-12-10 WO disclosed
US-20200188177-A1 DERMAL DEVICE FOR ADMINISTRATION OF ONE OR MORE ACTIVE AGENTS TO THE SKIN MYLAN INC. (US) 2020-06-18 US disclosed
US-10632195-B2 Pharmaceutical device for electric-field assisted administration of Tapentadol and method of administering Tapentadol with same GRUENENTHAL GMBH (DE) 2020-04-28 US disclosed
US-4915102-A Applying a film layer to the skin BERTEK, INC. (US) 1990-04-10 US disclosed
EP-0356614-A2 Hinged dermal applicator MLI ACQUISITION CORP. II (US) 1990-03-07 EP disclosed
US-4707495-A PROSTAGLANDINS ORTHO PHARMACEUTICAL (US) 1987-11-17 US disclosed
EP-0225044-A1 Peptic ulcer treatment ORTHO PHARMACEUTICAL CORPORATION (US) 1987-06-10 EP disclosed
US-4666441-A Multicompartmentalized transdermal patches CIBA-GEIGY CORPORATION (US) 1987-05-19 US disclosed
US-4573996-A Device for the administration of an active agent to the skin or mucosa JONERGIN, INC. (US) 1986-03-04 US disclosed
EP-0008227-B1 PHARMACEUTICAL COMPOSITIONS FOR TOPICAL ADMINISTRATION CONTAINING PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1983-04-27 EP disclosed
US-4254145-A LOCALIZED VASOCILATION AMERICAN CYANAMID COMPANY (US) 1981-03-03 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 (1 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-10632195-B2 Pharmaceutical device for electric-field assisted administration of Tapentadol and method of administering Tapentadol with same SLC6A2, SLC9A2, ATP1A2 TSHR 1765/4885ALDH1A1 436/4885FGFR4 4217/4885

“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.