SCHEMBL6937073

SCHEMBL6937073

CCCCCCOCCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.52
CES2 O00748 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
PLA2G2C Q5R387 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FAAH O00519 6/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6939605 1.00 CES1 (0.52) CES1CES2MEN1KMT2ATHRB
SCHEMBL6936428 1.00 CES1 (0.52) CES1CES2MEN1KMT2ATHRB
SCHEMBL6934107 1.00 CES1 (0.52) CES1CES2MEN1KMT2ATHRB
SCHEMBL6936480 1.00 CES1 (0.52) CES1CES2MEN1KMT2ATHRB
SCHEMBL6937293 0.98 CES2 (0.48) CES1CES2MEN1KMT2ATHRB
SCHEMBL13325107 0.95 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL13303168 0.95 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL13106227 0.93 TSHR (0.46) CES1CES2MEN1KMT2ATHRB
SCHEMBL6937500 0.91 CES1 (0.52) CES1CES2MEN1KMT2ATHRB
SCHEMBL6940871 0.91 CES1 (0.52) CES1CES2MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008003446-A2 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP 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 (1 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-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 CES1 1576/4885CES2 1061/4885MEN1 3313/4885

“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.