SCHEMBL15529401

SCHEMBL15529401

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.45
NR1H3 Q13133 4/20 0.44
RORC P51449 3/20 0.44
ALOX5 P09917 7/20 0.43
EPHX2 P34913 6/20 0.43
KCNT1 Q5JUK3 1/20 0.43
HDAC1 Q13547 4/20 0.40
NR1I2 O75469 1/20 0.40
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL15528824 0.93 HDAC1 (0.48) HDAC6NR1H3RORCHDAC1NR1I2
SCHEMBL15603605 0.85 HDAC6 (0.49) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL16616306 0.85 HDAC6 (0.49) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL16625610 0.84 NR1H3 (0.42) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL15529255 0.83 HDAC6 (0.46) HDAC6NR1H3RORCHDAC1NR1H2
SCHEMBL15525689 0.82 NR1H3 (0.44) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL15528373 0.82 HDAC6 (0.54) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL15528711 0.82 ALOX5 (0.53) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL15529339 0.81 HDAC6 (0.60) HDAC6NR1H3RORCALOX5EPHX2
SCHEMBL15528761 0.80 HDAC6 (0.47) HDAC6NR1H3RORCHDAC1NR1I2

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 9 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-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
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
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
EP-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 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-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC HDAC6 381/4885NR1H3 12/4885RORC 3/4885

“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.