SCHEMBL816784

SCHEMBL816784

O=C(Cl)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.35
KDR P35968 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
KIF11 P52732 1/20 0.33
NOTUM Q6P988 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 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
SCHEMBL7981974 0.83 KCNQ3 (0.37) CES2KDRRAB9ACYP1A2CYP2D6
SCHEMBL817538 0.80 RXRA (0.46) CES2MAPTMEN1KMT2ALMNA
SCHEMBL13749764 0.78 ERN1 (0.41) CES2CYP2D6CYP2C19MAPTCYP2C9
SCHEMBL816306 0.78 KIF11 (0.47) CES2KDRLMNAKIF11NOTUM
SCHEMBL2680326 0.77 NOTUM (0.42) CES2KDRRAB9ACYP1A2CYP2D6
SCHEMBL31542017 0.77 NOTUM (0.42) CES2KDRRAB9ACYP1A2CYP2D6
SCHEMBL30892335 0.75 GLA (0.45) CES2KDRRAB9ACYP1A2CYP2D6
SCHEMBL278277 0.75 GLA (0.45) CES2KDRRAB9ACYP1A2CYP2D6
SCHEMBL5165740 0.75 ADRB2 (0.41) KDRRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL11632983 0.75 GSK3B (0.42) RAB9AMAPTMEN1KMT2ANPSR1

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 12 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

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 CES2 288/4885KDR 1282/4885RAB9A 3703/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 CES2 1061/4885KDR 2331/4885RAB9A 1614/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 CES2 385/4885KDR 1971/4885RAB9A 3063/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 CES2 955/4885KDR 1379/4885RAB9A 1719/4885

“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.