SCHEMBL17716642

SCHEMBL17716642

OC(CF)(c1ccc(Br)c2ccccc12)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KCNJ11 Q14654 10/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CDC14B O60729 1/20 0.35
▸ CDC14A Q9UNH5 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.33

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
SCHEMBL17711245 0.80 KDM4E (0.54) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL17716665 0.79 KMT2A (0.45) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL19284577 0.75 IDO1 (0.38) MEN1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL17716654 0.74 AR (0.43) —
SCHEMBL20428915 0.73 KCNJ11 (0.37) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL15538116 0.72 RXFP1 (0.42) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL17716659 0.71 AR (0.38) —
SCHEMBL27649195 0.71 ACHE (0.40) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL31722798 0.67 RXFP1 (0.40) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL11891531 0.67 RXFP1 (0.40) KDM4EMEN1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 — — 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 (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-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORC, RORA, RORB KDM4E 1927/4885MEN1 4211/4885MAPT 1982/4885

“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.

Send feedback