SCHEMBL10241955

SCHEMBL10241955

COC(=O)/C(C#N)=C/c1ccc(O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
DNM1 Q05193 7/20 0.57
EGFR P00533 11/20 0.53
ERBB2 P04626 5/20 0.53
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KLK7 P49862 1/20 0.50

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
SCHEMBL9347102 0.88 DNM1 (0.72) ALDH1A1MEN1MAPTKMT2ADNM1
SCHEMBL9347097 0.88 DNM1 (0.72) ALDH1A1MEN1MAPTKMT2ADNM1
SCHEMBL6874673 0.84 MEN1 (0.77) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL3428284 0.84 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL6874677 0.84 MEN1 (0.77) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL3428282 0.84 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL10241964 0.84 EGFR (0.74) ALDH1A1MEN1MAPTKMT2AEGFR
SCHEMBL131205 0.83 DNM1 (0.54) ALDH1A1MEN1MAPTKMT2ADNM1
SCHEMBL21457243 0.83 DNM1 (0.54) ALDH1A1MEN1MAPTKMT2ADNM1
SCHEMBL10413552 0.83 KDM4E (0.59) ALDH1A1MAPTKMT2AEGFRPKM

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 21 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-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-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 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
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 (10 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA ALDH1A1 2096/4885MEN1 4484/4885MAPT 2581/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ALDH1A1 364/4885MEN1 2257/4885MAPT 2536/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 479/4885MEN1 4495/4885MAPT 1849/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885MEN1 4504/4885MAPT 2086/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885MEN1 4504/4885MAPT 2086/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA ALDH1A1 425/4885MEN1 4288/4885MAPT 1/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885MEN1 4504/4885MAPT 2086/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 340/4885MEN1 2142/4885MAPT 2469/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 362/4885MEN1 2098/4885MAPT 2415/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ALDH1A1 140/4885MEN1 3254/4885MAPT 3082/4885

“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.