SCHEMBL817540

SCHEMBL817540

FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
NOTUM Q6P988 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EPRS1 P07814 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL15627263 0.85 CYP11B1 (0.36) KDM1ANOTUMCYP11B1CYP11B2
SCHEMBL13550072 0.84 KDM1A (0.33) KDM1ANOTUM
SCHEMBL6705993 0.80 KDM1A (0.39) KDM1ANOTUMCYP11B1CYP11B2EPRS1
SCHEMBL7882962 0.76 EPAS1 (0.38) KDM1ANOTUMCYP11B1CYP11B2EPRS1
SCHEMBL6756054 0.74 CES2 (0.41) GLAPOLBGAATSHR
SCHEMBL23416481 0.73 GAA (0.35) GLAPOLBGAATSHR
SCHEMBL392404 0.72 TSHR (0.52) GLAPOLBGAATSHR
SCHEMBL7657199 0.72 GLA (0.31) GLAPOLBGAATSHR
SCHEMBL14302780 0.72 GLA (0.31) GLAPOLBGAATSHR
SCHEMBL395557 0.72 KIF11 (0.39)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
WO-2008003443-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 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 (4 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 KDM1A 3503/4885NOTUM 213/4885CYP11B1 2229/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 KDM1A 3603/4885NOTUM 1910/4885CYP11B1 1364/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 KDM1A 4228/4885NOTUM 322/4885CYP11B1 832/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 KDM1A 4038/4885NOTUM 1295/4885CYP11B1 2591/4885

“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.