SCHEMBL479810

SCHEMBL479810

CC(C=O)c1ccc(Oc2ccc(C#N)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HTR2A P28223 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
IL18 Q14116 1/20 0.38
SCN9A Q15858 7/20 0.38
FPR2 P25090 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL473954 0.86 AR (0.49) KDM4E
SCHEMBL28034745 0.76 HTR2A (0.44) HTR2AKCNH2SLC6A4
SCHEMBL3694921 0.76 MERTK (0.45) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL14833394 0.74 HTR2A (0.56) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL27569427 0.72 FNTA (0.40) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL13890483 0.71 AR (0.56) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL479962 0.70 PARP15 (0.49) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL9889460 0.70 HTR2A (0.46) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL922829 0.70 HTR2A (0.43) MERTKPARP15PARP10PARP2HTR2A
SCHEMBL922673 0.70 HTR2A (0.52) MERTKPARP15PARP10PARP2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 MERTK 4659/4885PARP15 2413/4885PARP10 2437/4885

“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.