SCHEMBL8921740

SCHEMBL8921740

CNC1CCCCCCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 2/20 0.42
EPHX1 P07099 6/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 2/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADH4 P08319 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL3016934 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166304 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166302 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL1148684 1.00
SCHEMBL1485899 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166298 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL3036481 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL8918 1.00
SCHEMBL3035987 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166301 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348359-A1 IONIZABLE LIPIDS FOR NANOMATERIALS BEAM THERAPEUTICS INC. (US) 2023-11-02 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7161031-B2 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-09 US disclosed
US-4957640-A Corrosion prevention with compositions prepared from organic fatty amines and nitrogen-containing aromatic heterocyclic compounds THE DOW CHEMICAL COMPANY (US) 1990-09-18 US disclosed
US-4950411-A OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1990-08-21 US disclosed
US-4765839-A PAVING THE DOW CHEMICAL COMPANY (US) 1988-08-23 US disclosed
US-4761473-A CORROSION RESISTANCE OF OIL OR GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-08-02 US disclosed
US-4491671-A Process for the preparation of N-substituted imido-dicarboxylic acid diaryl esters BAYER AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
EP-0048376-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1984-02-15 EP disclosed
EP-0048377-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1983-10-19 EP disclosed
US-4348331-A FROM THE HYDROCHLORIDE OF A PRIMARY AMINE AND AN ARYL ESTER HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0048376-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885HSD17B10 1452/4885SIGMAR1 52/4885
US-20230348359-A1 IONIZABLE LIPIDS FOR NANOMATERIALS PHOSPHO1, SGMS2, SGMS1 ALDH1A1 3850/4885HSD17B10 2265/4885SIGMAR1 1277/4885

“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.