SCHEMBL10241976

SCHEMBL10241976

Cc1cc(C(F)(F)C(F)(F)F)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.59
ESR2 Q92731 9/20 0.55
AR P10275 4/20 0.55
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.48
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5400990 0.91 ESR1 (0.64) ESR1ESR2ARTDP1TP53
SCHEMBL7157861 0.84 ESR1 (0.52) ESR1ESR2ARTDP1TP53
SCHEMBL29404885 0.83 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL3688722 0.83 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL5354742 0.83 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL29925195 0.83 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL172788 0.82 ESR1 (0.64) ESR1ESR2ARTDP1TP53
SCHEMBL11124943 0.81 ESR1 (0.57) ESR1ESR2ARTDP1TP53
SCHEMBL15695710 0.81 ESR1 (0.63) ESR1ESR2ARTDP1TP53
SCHEMBL9610060 0.81 ESR1 (0.63) ESR1ESR2ARTDP1TP53

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 18 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
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 (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 ESR1 4279/4885ESR2 2097/4885AR 4190/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ESR1 211/4885ESR2 161/4885AR 79/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ESR1 3474/4885ESR2 1667/4885AR 1100/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ESR1 3452/4885ESR2 1814/4885AR 1235/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ESR1 3452/4885ESR2 1814/4885AR 1235/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA ESR1 3345/4885ESR2 1990/4885AR 1316/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ESR1 3452/4885ESR2 1814/4885AR 1235/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ESR1 273/4885ESR2 191/4885AR 86/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ESR1 204/4885ESR2 166/4885AR 78/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ESR1 3695/4885ESR2 2631/4885AR 254/4885

“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.