SCHEMBL4239696

SCHEMBL4239696

CCCCCCCN(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
CES2 O00748 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GBA1 P04062 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL13303098 1.00 DNM1 (0.48) DNM1TSHRTHRBFAAHCES1
SCHEMBL13303192 0.89 DNM1 (0.33) DNM1TSHRTHRBFAAHCES1
Bicarbonate SCHEMBL4226376 0.89 FAAH (0.45) TSHRFAAHCES1CES2MEN1
SCHEMBL22532181 0.76 DNM1 (0.43) DNM1TSHRTHRBFAAHCES1
SCHEMBL3339446 0.74
SCHEMBL4605368 0.74 DNM1 (0.48) DNM1TSHRTHRBFAAHCES1
SCHEMBL28136332 0.72 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL439341 0.72 DNM1 (0.46) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL3538819 0.72 DNM1 (0.46) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL3534539 0.72 DNM1 (0.46) DNM1TSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090320718-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US disclosed
EP-2035132-A2 FLUOROSURFACTANTS MERCK PATENT GmbH (DE) 2009-03-18 EP disclosed
WO-2008003447-A2 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO 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-20090320718-A1 FLUOROSURFACTANTS FPR3, Q6ZSR9, SGMS2 DNM1 1389/4885TSHR 2505/4885THRB 4234/4885

“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.