SCHEMBL816358

SCHEMBL816358

C=Cc1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL25020793 0.79 HTR2A (0.35) HTR2AHTR2CHTR2BALDH1A1APP
SCHEMBL22882569 0.79 APP (0.39) HTR2AHTR2CHTR2BALDH1A1APP
SCHEMBL816357 0.76 KIF11 (0.44) APP
SCHEMBL15582367 0.74 ALDH1A1 (0.43) HTR2AHTR2CHTR2BALDH1A1APP
SCHEMBL18723235 0.74 TP53 (0.35) ALDH1A1
SCHEMBL3689102 0.73 HTR2A (0.35) HTR2AHTR2CHTR2BAPP
SCHEMBL7657199 0.72 GLA (0.31)
SCHEMBL26793682 0.71 PTGS1 (0.39) HTR2AHTR2CHTR2BAPP
SCHEMBL398398 0.71 KIF11 (0.41) HTR2AHTR2CHTR2BALDH1A1APP
SCHEMBL347778 0.70 CES2 (0.41) ALDH1A1

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 11 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-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

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 HTR2A 3046/4885HTR2C 2627/4885HTR2B 2429/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 HTR2A 2204/4885HTR2C 1212/4885HTR2B 1844/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 HTR2A 2985/4885HTR2C 2452/4885HTR2B 2680/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 HTR2A 2899/4885HTR2C 1855/4885HTR2B 2546/4885

“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.