SCHEMBL19600777

SCHEMBL19600777

CC(C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.49
▸ NR1H2 P55055 4/20 0.40
▸ NR1H3 Q13133 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ PDK1 Q15118 1/20 0.36

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
SCHEMBL20428942 0.82 AR (0.51) ARNR1H2NR1H3SMN1; SMN2MEN1
SCHEMBL19600779 0.78 AR (0.41) AR
SCHEMBL17709992 0.78 AR (0.44) ARNR1H2NR1H3SMN1; SMN2MEN1
SCHEMBL29509660 0.78 AR (0.44) ARNR1H2NR1H3SMN1; SMN2MEN1
SCHEMBL19606079 0.77 AR (0.44) ARNR1H2NR1H3MEN1KMT2A
SCHEMBL19606082 0.77 AR (0.50) ARNR1H2NR1H3SMN1; SMN2MEN1
SCHEMBL23059981 0.74 ALDH1A1 (0.48) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL22527193 0.71 AR (0.34) ARMEN1KMT2AALDH1A1TSHR
SCHEMBL29509453 0.71 PDK2 (0.46) ARNR1H2NR1H3SMN1; SMN2MEN1
SCHEMBL17711502 0.71 AR (0.41) ARNR1H2NR1H3SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 — — US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 — — 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-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB AR 757/4885NR1H2 41/4885NR1H3 24/4885

“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.

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