SCHEMBL3422146

SCHEMBL3422146

O=C(CC=CC(F)(F)F)CC=CC(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6202148 0.81 ALDH1A1 (0.55) ALDH1A1CYP2D6ALOX15
SCHEMBL28859286 0.72 ALDH1A1 (0.30) ALDH1A1CYP2D6ALOX15
SCHEMBL10707321 0.70
SCHEMBL28603548 0.70 ALDH1A1 (0.35) ALDH1A1CYP2D6ALOX15
Bicarbonate SCHEMBL27133673 0.69 ALDH1A1 (0.35) ALDH1A1ALOX15
Bicarbonate SCHEMBL28340725 0.69
SCHEMBL2494480 0.67
SCHEMBL2317872 0.67
SCHEMBL22115813 0.67
SCHEMBL2494482 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526868-A A kind of preparation method of celecoxib WEIHAI DISU PHARMACEUTICAL CO LTD 2019-12-03 CN disclosed
EP-2216414-B1 Cell-free translation system UNIV BAYREUTH (DE) 2012-08-22 EP disclosed
EP-2216414-A1 Cell-free translation system Universität Bayreuth (DE) 2010-08-11 EP disclosed
EP-1848815-B1 ESTERASES FOR MONITORING PROTEIN BIOSYNTHESIS IN VITRO UNIV BAYREUTH (DE) 2010-05-19 EP disclosed
US-20090258348-A1 ESTERASES FOR MONITORING PROTEIN BIOSYNTHESIS IN VITRO UNIVERSITÄT BAYREUTH (DE) 2009-10-15 US disclosed
EP-1848815-A1 ESTERASES FOR MONITORING PROTEIN BIOSYNTHESIS IN VITRO Universität Bayreuth (DE) 2007-10-31 EP disclosed
WO-2006082059-A1 ESTERASES FOR MONITORING PROTEIN BIOSYNTHESIS IN VITRO UNIVERSITÄT BAYREUTH (DE) 2006-08-10 WO disclosed
EP-0468457-B1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL DOW PHARMA (US) 1996-03-06 EP disclosed
US-5217979-A Substituted alkyl piperidines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-08 US disclosed
EP-0468457-A1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed
EP-0420116-A2 Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1991-04-03 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-20090258348-A1 ESTERASES FOR MONITORING PROTEIN BIOSYNTHESIS IN VITRO RNGTT, ANPEP, DNPEP ALDH1A1 1902/4885CYP2D6 1742/4885ALOX15 4402/4885

“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.