SCHEMBL11116151

SCHEMBL11116151

CCOC(=O)/C(C)=C/N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 3/20 0.38
TRPA1 O75762 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
IDE P14735 1/20 0.36
TNNI3 P19429 1/20 0.36

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
SCHEMBL134678 1.00 CYP2C9 (0.56) CYP2C9GLO1ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL8007864 0.98 CYP2C9 (0.55) CYP2C9GLO1ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL28568635 0.96 CYP2C9 (0.53) CYP2C9GLO1ALDH1A1LMNAHSD17B10
SCHEMBL3410835 0.88 CYP2C9 (0.53) CYP2C9GLO1ALDH1A1LMNAHSD17B10
SCHEMBL3410836 0.88 CYP2C9 (0.53) CYP2C9GLO1ALDH1A1LMNAHSD17B10
Acrylamide SCHEMBL28108437 0.88 CYP2C9 (0.46) CYP2C9GLO1ALDH1A1LMNAHSD17B10
SCHEMBL524762 0.83 CYP2C9 (0.41) CYP2C9GLO1ALDH1A1LMNASMN1; SMN2
SCHEMBL16868400 0.83 CYP2C9 (0.41) CYP2C9GLO1ALDH1A1LMNASMN1; SMN2
SCHEMBL4059450 0.82 CYP2C9 (0.43) CYP2C9GLO1ALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28001098 0.82 CYP2C9 (0.40) CYP2C9GLO1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130209811-A1 METHOD FOR DEPOSITING A BIOCIDAL COATING ON A SUBSTRATE VLAAMSE INSTELLING VOOR TECHNOLOGISCH ONDERZOEK (VITO) (BE) 2013-08-15 US claimed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-28 US disclosed
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-28 US disclosed
US-9714230-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-07-25 US disclosed
US-9714230-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-07-25 US disclosed
US-20130209811-A1 METHOD FOR DEPOSITING A BIOCIDAL COATING ON A SUBSTRATE VLAAMSE INSTELLING VOOR TECHNOLOGISCH ONDERZOEK (VITO) (BE) 2013-08-15 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-4460568-A Quaternary, copolymeric, high molecular weight ammonium salts based on acrylic compounds, their preparation, and their use in cosmetics CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
US-4460567-A HAIR TREATMENT, ACRYLAMIDE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
US-4460569-A SULFOSUCCINATE ANIONIC SURFACTANT CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
US-4460570-A HAIR CONDITIONING, ACRYLAMIDE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
US-4454114-A Quaternary, copolymeric, high molecular weight ammonium salts based on acrylic compounds, and their use in cosmetics for the hair CIBA-GEIGY CORPORATION (US) 1984-06-12 US disclosed
US-4440744-A Quaternary, copolymeric, high molecular weight ammonium salts based on acrylic compounds, and their use in cosmetics CIBA-GEIGY CORPORATION (US) 1984-04-03 US disclosed
US-4419344-A Quaternary, copolymeric, high molecular weight ammonium salts based on acrylic compounds, their preparation, and their use in cosmetics CIBA-GEIGY CORPORATION (US) 1983-12-06 US disclosed
US-4393886-A Mixtures of quaternary, polymeric, high molecular weight ammonium salts, which are based on acrylic compounds, and surfactants, their preparation, and their use in cosmetics CIBA-GEIGY CORPORATION (US) 1983-07-19 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 (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-10173996-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A CYP2C9 1544/4885GLO1 430/4885ALDH1A1 396/4885
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP2C9 1544/4885GLO1 430/4885ALDH1A1 396/4885
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 CYP2C9 559/4885GLO1 3795/4885ALDH1A1 2406/4885

“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.