SCHEMBL10280982

SCHEMBL10280982

Cc1cc(/C=C(\C#N)C=O)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.45
ERBB2 P04626 8/20 0.45
MEN1 O00255 7/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.45
KMT2A Q03164 7/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
TP53 P04637 4/20 0.45
CYP1A2 P05177 4/20 0.45
HSD17B10 Q99714 4/20 0.45
BLM P54132 4/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX15 P16050 3/20 0.45
ALOX12 P18054 3/20 0.45
MAPK1 P28482 3/20 0.45
PMP22 Q01453 3/20 0.45
HIF1A Q16665 3/20 0.45
LMNA P02545 2/20 0.45
ALPL P05186 2/20 0.45

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
SCHEMBL9508495 0.80 EGFR (0.68) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL9508488 0.80 EGFR (0.68) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL10241929 0.80 EGFR (0.70) EGFRERBB2MEN1ALDH1A1MAPT
SCHEMBL14006385 0.78 EGFR (0.49) EGFRERBB2MEN1ALDH1A1MAPT
SCHEMBL11552151 0.78 EGFR (0.46) EGFRERBB2MEN1ALDH1A1MAPT
SCHEMBL11552154 0.78 EGFR (0.46) EGFRERBB2MEN1ALDH1A1MAPT
SCHEMBL10241964 0.76 EGFR (0.74) EGFRERBB2MEN1ALDH1A1MAPT
SCHEMBL5805255 0.75 MEN1 (0.59) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL28429180 0.75 MEN1 (0.59) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL11549693 0.73 CYP1A2 (0.62) EGFRALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A EGFR 2680/4885ERBB2 3781/4885MEN1 4495/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A EGFR 2825/4885ERBB2 3830/4885MEN1 4504/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A EGFR 2825/4885ERBB2 3830/4885MEN1 4504/4885

“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.