SCHEMBL15524917

SCHEMBL15524917

COC(=O)c1ccc(CN2CCc3cc(NC(C)=O)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.57
EPHX2 P34913 12/20 0.54
KCNT1 Q5JUK3 1/20 0.54
TP53 P04637 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TNF P01375 1/20 0.48
ABCB1 P08183 1/20 0.47

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
SCHEMBL15524920 0.89 ALOX5 (0.70) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15524919 0.88 ALOX5 (0.58) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15524907 0.87 ALOX5 (0.57) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15524902 0.86 ALOX5 (0.56) ALOX5EPHX2KCNT1TNF
SCHEMBL31577274 0.85 ALOX5 (0.72) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15601456 0.84 ALOX5 (0.56) ALOX5EPHX2KCNT1HDAC6
SCHEMBL15524916 0.84 TNF (0.64) ALOX5EPHX2KCNT1TP53TNF
SCHEMBL15601405 0.83 ALOX5 (0.60) ALOX5EPHX2KCNT1HDAC6TNF
SCHEMBL15524905 0.83 ALOX5 (0.55) ALOX5EPHX2KCNT1HDAC6
SCHEMBL17702504 0.83 HDAC1 (0.56) ALOX5EPHX2KCNT1HDAC1HDAC6

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-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
EP-2844247-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 WO disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC ALOX5 3468/4885EPHX2 926/4885KCNT1 3099/4885

“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.