SCHEMBL14616300

SCHEMBL14616300

CC/C(C#N)=C\c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
CISD1 Q9NZ45 2/20 0.57
THRB P10828 1/20 0.57
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
ALDH1A1 P00352 7/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 2/20 0.50
EGFR P00533 2/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 4/20 0.49
SLC16A3 O15427 1/20 0.49

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
SCHEMBL10187523 0.82 MCL1 (0.50) KMT2AMEN1ALDH1A1HPGDPKM
SCHEMBL14604980 0.82 MCL1 (0.50) KMT2AMEN1ALDH1A1HPGDPKM
SCHEMBL18192045 0.82 MCL1 (0.50) KMT2AMEN1ALDH1A1HPGDPKM
SCHEMBL9623098 0.82 KMT2A (0.50) KMT2AMEN1CISD1THRBESR1
SCHEMBL15521648 0.78 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL8402113 0.76 LTA4H (0.43) KMT2AMEN1ALDH1A1HPGDCYP3A4
SCHEMBL11853779 0.75 ALDH1A1 (0.50) KMT2AMEN1CISD1THRBESR1
SCHEMBL13412691 0.74 MEN1 (0.63) KMT2AMEN1CISD1THRBESR1
SCHEMBL26552262 0.74 MEN1 (0.63) KMT2AMEN1CISD1THRBESR1
SCHEMBL11858718 0.73 ALDH1A1 (0.60) KMT2AMEN1CISD1THRBESR1

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 3 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-20130018159-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM Abbott Medical Optics Inc. (US) 2013-01-17 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-20130018159-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM CRY1, AAAS, CYBA KMT2A 736/4885MEN1 31/4885CISD1 990/4885

“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.