SCHEMBL10428283

SCHEMBL10428283

CC(O)CNC(=O)CC#N

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.57
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
ACACB O00763 2/20 0.35
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL615361 0.85 MCL1 (0.59) MCL1ALDH1A1KDM4ECYP3A4ACACB
SCHEMBL9442189 0.83 MCL1 (0.56) MCL1ALDH1A1KDM4ECYP3A4ACACB
SCHEMBL10428328 0.80 MCL1 (0.60) MCL1ALDH1A1KDM4ECYP3A4KMT2A
SCHEMBL6616332 0.79 MCL1 (0.52) MCL1ALDH1A1KDM4ECYP3A4ACACB
SCHEMBL8072203 0.78 MCL1 (0.50) MCL1ALDH1A1KDM4ECYP3A4KMT2A
SCHEMBL24988613 0.76 MCL1 (0.48) MCL1ALDH1A1KDM4ECYP3A4KMT2A
SCHEMBL8077349 0.75 MCL1 (0.52) MCL1ALDH1A1KDM4ECYP3A4ACACB
SCHEMBL15903262 0.75 ALDH1A1 (0.54) ALDH1A1HPGDCYP2C19CYP2D6
SCHEMBL5154225 0.75
SCHEMBL8536470 0.74 MCL1 (0.53) MCL1ALDH1A1KDM4ECYP3A4ACACB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785627-B2 Copolymerizable methine and anthraquinone compounds and articles containing them Abbott Medical Optics Inc. (US) 2014-07-22 US disclosed
US-8501890-B2 Copolymerizable methine and anthraquinone compounds and articles containing them Abbott Medical Optics Inc. (US) 2013-08-06 US disclosed
US-8360576-B2 Copolymerizable methine and anthraquinone compounds and articles containing them Abbott Medical Optics Inc. (US) 2013-01-29 US disclosed
US-8360576-B2 Copolymerizable methine and anthraquinone compounds and articles containing them Abbott Medical Optics Inc. (US) 2013-01-29 US disclosed
EP-1815274-B1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM ABBOTT MEDICAL OPTICS INC (US) 2011-09-21 EP disclosed
US-7989572-B2 Polyvinyl ultraviolet light absorbers for personal care EASTMAN CHEMICAL COMPANY (US) 2011-08-02 US disclosed
WO-2009091506-A2 POLYVINYL ULTRAVIOLET LIGHT ABSORBERS FOR PERSONAL CARE EASTMAN CHEMICAL COMPANY (US) 2009-07-23 WO disclosed
US-20090185988-A1 POLYVINYL ULTRAVIOLET LIGHT ABSORBERS FOR PERSONAL CARE EASTMAN CHEMICAL COMPANY (US) 2009-07-23 US disclosed
US-20090076235-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM Johnson & Johnson Surgical Vision, Inc. 2009-03-19 US disclosed
US-20090076235-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM Johnson & Johnson Surgical Vision, Inc. 2009-03-19 US disclosed
US-4948879-A Monoazo compounds containing a fiber-reactive group and an oxazolopyridone or oxazinopyridone coupling component HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-14 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 (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-20090185988-A1 POLYVINYL ULTRAVIOLET LIGHT ABSORBERS FOR PERSONAL CARE MMS19, XPA, CUTA MCL1 1796/4885ALDH1A1 1754/4885KDM4E 3348/4885
US-20090076235-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM AAAS, IK, CYBA MCL1 4158/4885ALDH1A1 868/4885KDM4E 273/4885

“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.