SCHEMBL816306

SCHEMBL816306

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
CA5A P35218 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.37
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.36
CES2 O00748 3/20 0.35
GSK3B P49841 1/20 0.35
KDR P35968 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL27250293 0.83 KIF11 (0.51) KIF11CA5ARXRARXRBRXRG
SCHEMBL817538 0.80 RXRA (0.46) CA5ARXRARXRBRXRGLMNA
SCHEMBL13749764 0.78 ERN1 (0.41) MAOBCES2
SCHEMBL816784 0.78 CES2 (0.35) KIF11RXRARXRBRXRGLMNA
SCHEMBL28652802 0.78 KIF11 (0.51) KIF11CA5ARXRARXRBRXRG
SCHEMBL816310 0.78 NOTUM (0.57) LMNANOTUM
SCHEMBL1925084 0.77 KIF11 (0.59) KIF11RXRARXRBRXRGAKR1C3
SCHEMBL30440617 0.76 NPFFR2 (0.58) KIF11NPFFR2LMNANOTUMKDR
SCHEMBL17407194 0.76 KIF11 (0.50) KIF11CA5ARXRARXRBRXRG
SCHEMBL76697 0.76 NPFFR2 (0.58) KIF11NPFFR2LMNANOTUMKDR

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 6 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-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-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

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 KIF11 4306/4885CA5A 849/4885RXRA 441/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 KIF11 3333/4885CA5A 261/4885RXRA 1426/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 KIF11 4154/4885CA5A 604/4885RXRA 559/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 KIF11 3312/4885CA5A 529/4885RXRA 2735/4885

“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.