SCHEMBL10241970

SCHEMBL10241970

Cc1cc(C#Cc2ccccc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.58
APP P05067 1/20 0.48
ESR1 P03372 3/20 0.47
ESR2 Q92731 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
FFAR1 O14842 3/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42

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
SCHEMBL12620795 0.89 TP53 (0.54) HNF4AESR1ESR2TDP1TP53
SCHEMBL29640427 0.81 HNF4A (0.63) HNF4AAPPFFAR1MAPTCA12
SCHEMBL4267311 0.81 HNF4A (0.63) HNF4AAPPFFAR1MAPTCA12
SCHEMBL20759624 0.81 APP (0.55) HNF4AAPPTP53FFAR1MAPT
SCHEMBL14425172 0.78 PDE10A (0.48) ESR1ESR2TDP1TP53MAPT
SCHEMBL28739768 0.78 APP (0.50) HNF4AAPPTP53FFAR1MAPT
SCHEMBL11193377 0.76 HNF4A (0.58) HNF4AAPPFFAR1MAPTKMT2A
SCHEMBL12478974 0.76 MAPT (0.54) HNF4AAPPTDP1TP53MAPT
SCHEMBL4271483 0.76 HNF4A (0.62) HNF4AAPPFFAR1RAB9ANPC1
SCHEMBL10241971 0.74 TP53 (0.43) ESR1ESR2TDP1TP53MAPT

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 13 patents. 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-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-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-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-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 HNF4A 607/4885APP 3797/4885ESR1 4279/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 HNF4A 2463/4885APP 2879/4885ESR1 211/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HNF4A 1840/4885APP 807/4885ESR1 3474/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HNF4A 2028/4885APP 1037/4885ESR1 3452/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HNF4A 2028/4885APP 1037/4885ESR1 3452/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA HNF4A 1561/4885APP 16/4885ESR1 3345/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HNF4A 2028/4885APP 1037/4885ESR1 3452/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR HNF4A 2449/4885APP 2888/4885ESR1 273/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR HNF4A 2281/4885APP 2698/4885ESR1 204/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA HNF4A 821/4885APP 4278/4885ESR1 3695/4885

“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.