SCHEMBL12059209

SCHEMBL12059209

CCCCC(O)(O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 13/20 0.48
CES2 O00748 2/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
FAAH O00519 6/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8094732 0.92 CES1 (0.52) CES1CES2LPAR1LPAR3
SCHEMBL9408565 0.90 CES1 (0.55) CES1CES2LPAR1LPAR3
SCHEMBL2616357 0.78 CES1 (0.39) CES1CES2LPAR1LPAR3FAAH
SCHEMBL27955697 0.78 FDPS (0.39) CES1CES2LPAR1LPAR3FAAH
SCHEMBL7858317 0.77
SCHEMBL2349836 0.77 ESR1 (0.39) CES2ESR1ESR2
SCHEMBL9815221 0.77
SCHEMBL13474588 0.76 CES1 (0.38) CES1CES2LPAR1LPAR3FAAH
SCHEMBL30156510 0.76 CES1 (0.38) CES1CES2LPAR1LPAR3FAAH
SCHEMBL25948178 0.76 CES1 (0.38) CES1CES2LPAR1LPAR3FAAH

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-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-29 US disclosed
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 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 (2 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-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A CES1 3248/4885CES2 4734/4885LPAR1 2855/4885
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 CES1 22/4885CES2 305/4885LPAR1 3736/4885

“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.