SCHEMBL10242061

SCHEMBL10242061

Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.37
CES2 O00748 3/20 0.35
PDE2A O00408 1/20 0.33
CACNA1H O95180 4/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CACNA1C Q13936 2/20 0.32
CACNA1G O43497 1/20 0.32
AR P10275 1/20 0.32
CACNA1B Q00975 1/20 0.32
XPO1 O14980 1/20 0.32
GABRB3 P28472 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACP1 P24666 1/20 0.31
AKT1 P31749 1/20 0.31
IL1B P01584 1/20 0.31
GABRP O00591 1/20 0.30

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
SCHEMBL13550159 0.91 RAPGEF4 (0.42) NOTUMRAPGEF4CES2PDE2ARXRA
SCHEMBL1041770 0.87 POLB (0.40) PDE2AARGABRA1GABRB2
SCHEMBL1042998 0.85 CES2 (0.40) NOTUMCES2CACNA1HCACNA1CCACNA1B
SCHEMBL16702748 0.85 AR (0.33) AR
SCHEMBL1039751 0.82 SMN1; SMN2 (0.41) RAPGEF4ARLMNAHTTSMN1; SMN2
SCHEMBL13550078 0.82 KDM1A (0.34) NOTUMARLMNAHTTSMN1; SMN2
SCHEMBL13550034 0.80 EPAS1 (0.34) ARLMNAHTTSMN1; SMN2
SCHEMBL5667400 0.79 CES2 (0.36) NOTUMCES2CACNA1HCACNA1CCACNA1B
SCHEMBL13550151 0.79 RAPGEF4 (0.38) NOTUMRAPGEF4CES2RXRARXRB
SCHEMBL1438733 0.78 TSHR (0.42) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 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-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-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 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
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-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US 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
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NOTUM 2208/4885RAPGEF4 2758/4885CES2 2136/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NOTUM 2088/4885RAPGEF4 2847/4885CES2 2149/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 NOTUM 2541/4885RAPGEF4 4703/4885CES2 2529/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 NOTUM 3331/4885RAPGEF4 1810/4885CES2 1740/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR NOTUM 1574/4885RAPGEF4 4541/4885CES2 1486/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR NOTUM 1888/4885RAPGEF4 4479/4885CES2 1509/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA NOTUM 2503/4885RAPGEF4 4435/4885CES2 1660/4885

“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.