SCHEMBL16616306

SCHEMBL16616306

CC(=O)C=Cc1ccc2c(c1)CCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.49
ALOX5 P09917 4/20 0.43
EPHX2 P34913 4/20 0.43
RORC P51449 2/20 0.43
KCNT1 Q5JUK3 1/20 0.43
HDAC1 Q13547 9/20 0.41
NR1H3 Q13133 2/20 0.40
HDAC8 Q9BY41 6/20 0.39
HDAC4 P56524 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
HDAC10 Q969S8 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL15603605 1.00 HDAC6 (0.49) HDAC6ALOX5EPHX2RORCKCNT1
SCHEMBL15528761 0.95 HDAC6 (0.47) HDAC6RORCHDAC1NR1H3HDAC8
SCHEMBL15528762 0.95 HDAC6 (0.47) HDAC6RORCHDAC1NR1H3HDAC8
SCHEMBL15529401 0.85 HDAC6 (0.45) HDAC6ALOX5EPHX2RORCKCNT1
SCHEMBL15528917 0.85 HDAC6 (0.44) HDAC6RORCHDAC1NR1H3HDAC8
SCHEMBL15528922 0.85 HDAC6 (0.44) HDAC6RORCHDAC1NR1H3HDAC8
SCHEMBL15528824 0.81 HDAC1 (0.48) HDAC6RORCHDAC1NR1H3HDAC8
SCHEMBL15525724 0.80 ALOX5 (0.59) HDAC6ALOX5EPHX2RORCKCNT1
SCHEMBL15528711 0.79 ALOX5 (0.53) HDAC6ALOX5EPHX2RORCKCNT1
SCHEMBL15529339 0.78 HDAC6 (0.60) HDAC6ALOX5EPHX2RORCKCNT1

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-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 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-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC HDAC6 381/4885ALOX5 2100/4885EPHX2 963/4885

“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.