SCHEMBL10241964

SCHEMBL10241964

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

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.74
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
CISD1 Q9NZ45 1/20 0.61
SLC16A3 O15427 1/20 0.61
CYP3A4 P08684 1/20 0.61
SLC16A1 P53985 1/20 0.61
GPR35 Q9HC97 1/20 0.61
ERBB2 P04626 3/20 0.57
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
LCK P06239 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL15082801 0.87 EGFR (0.64) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL29483469 0.85 EGFR (1.00) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL17457139 0.85 EGFR (1.00) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL29357482 0.85 EGFR (1.00) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL6286665 0.85 EGFR (1.00) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL5908882 0.85 EGFR (1.00) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL10241955 0.84 ALDH1A1 (0.60) EGFRKDM4EALDH1A1HPGDERBB2
SCHEMBL29378337 0.81 EGFR (0.82) EGFRKDM4EALDH1A1HPGDCYP3A4
SCHEMBL20995953 0.81 EGFR (0.74) EGFRKDM4EALDH1A1HPGDCISD1
SCHEMBL20995956 0.81 EGFR (0.74) EGFRKDM4EALDH1A1HPGDCISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 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 (7 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 EGFR 4167/4885KDM4E 1835/4885ALDH1A1 364/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A EGFR 2680/4885KDM4E 4017/4885ALDH1A1 479/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A EGFR 2825/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A EGFR 2825/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR EGFR 4114/4885KDM4E 1821/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR EGFR 4125/4885KDM4E 1698/4885ALDH1A1 362/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA EGFR 1720/4885KDM4E 2305/4885ALDH1A1 140/4885

“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.