SCHEMBL5047150

SCHEMBL5047150

[CH2]CCOCCOCCOCC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL150256 1.00
SCHEMBL5519 0.94
SCHEMBL28984423 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL27895990 0.90
SCHEMBL200022 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL6653852 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL145252 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL201000 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL28795138 0.88
SCHEMBL28075693 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230044488-A1 AMINE COMPOUND, REACTIVE COALESCING AGENT, COATING COMPOSITION, COATING LAYER AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-02-09 US claimed
WO-2021150170-A1 AMINE COMPOUND, REACTIVE COALESCING AGENT, COATING COMPOSITION, COATING LAYER AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-07-29 WO claimed
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 US claimed
EP-1487823-A1 DERIVATIVES OF 4-(IMIDAZOL-5-YL)-2-(4-SULFOANILINO)PYRIMIDINE WITH CDK INHIBITORY ACTIVITY AstraZeneca AB (SE) 2004-12-22 EP claimed
WO-2003076436-A1 DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO claimed
US-4960873-A 3-pyridylisothiazoleazo compounds useful as disperse dyes BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
CN-109937500-B Binder composition for lithium battery electrode and electrode using same 富士胶片和光纯药株式会社 2023-04-11 CN disclosed
US-20230044488-A1 AMINE COMPOUND, REACTIVE COALESCING AGENT, COATING COMPOSITION, COATING LAYER AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-02-09 US disclosed
US-20210388223-A1 MICROPARTICLE COMPOSITION COMPRISING AN ORGANIC IR ABSORBING PIGMENT BASF SE (DE) 2021-12-16 US disclosed
WO-2021150170-A1 AMINE COMPOUND, REACTIVE COALESCING AGENT, COATING COMPOSITION, COATING LAYER AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-07-29 WO disclosed
WO-2020079154-A1 MICROPARTICLE COMPOSITION COMPRISING AN ORGANIC IR ABSORBING PIGMENT BASF SE (DE) 2020-04-23 WO disclosed
EP-3377515-A1 GELATINASE INHIBITORS AND USE THEREOF Iproteos S.L (ES) 2018-09-26 EP disclosed
US-7465728-B2 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-12-16 US disclosed
EP-0335234-B1 AZO ISOATHIAZOLE DYES BASF Aktiengesellschaft (DE) 1992-12-09 EP disclosed
US-5112362-A NAVY DYE MIXTURES OF AZO DISPERSE DYES FOR POLYESTER BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US disclosed
EP-0460463-A1 Use of azo dyes in thermal transfer printing BASF Aktiengesellschaft (DE) 1991-12-11 EP disclosed
EP-0450434-A2 Marine blue dyestuff mixtures BASF Aktiengesellschaft (DE) 1991-10-09 EP disclosed
US-4960873-A 3-pyridylisothiazoleazo compounds useful as disperse dyes BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0335234-A2 Azo isoathiazole dyes BASF Aktiengesellschaft (DE) 1989-10-04 EP disclosed
EP-0066714-A2 Reactive dyestuffs BASF Aktiengesellschaft (DE) 1982-12-15 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 (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-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity CCNI, CDK2, CDK1 ALDH1A1 1079/4885TSHR 3691/4885THRB 3519/4885

“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.