SCHEMBL45135

SCHEMBL45135

NC(=O)CCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
TACR1 P25103 3/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
SLC6A4 P31645 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
EPHX1 P07099 1/20 0.39
GPR52 Q9Y2T5 4/20 0.39
VNN1 O95497 1/20 0.38
AURKA O14965 1/20 0.38
CAPN1 P07384 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
IDO1 P14902 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
SCHEMBL3400672 0.90 IDO1 (0.46) RXRARXRBRXRGTACR1SLC6A4
SCHEMBL27490323 0.86 RXRA (0.45) RXRARXRBRXRGTACR1SLC6A4
SCHEMBL17310946 0.85 RXRA (0.51) RXRARXRBRXRGTACR1SLC6A4
SCHEMBL4660533 0.84 RXRA (0.41) RXRARXRBRXRGTACR1SLC6A4
SCHEMBL19438593 0.84 CAPN1 (0.46) SLC6A4EPHX1CAPN1ALDH1A1IDO1
SCHEMBL16503765 0.83 EPHX1 (0.39) TACR1GPBAR1SLC6A4FFAR4EPHX1
SCHEMBL28560207 0.83 EPHX1 (0.39) TACR1GPBAR1SLC6A4FFAR4EPHX1
SCHEMBL5389064 0.83 RXRA (0.49) RXRARXRBRXRGTACR1FFAR4
Hydrochloric Acid SCHEMBL5394073 0.81 RXRA (0.48) RXRARXRBRXRGTACR1FFAR4
SCHEMBL3932054 0.80 CYP3A4 (0.44) RXRARXRBRXRGTACR1GPBAR1

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
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 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 (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-20110313196-A1 NOVEL PROCESS CYP3A5, CYP3A4, GBA1 RXRA 3424/4885RXRB 3356/4885RXRG 3733/4885

“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.