SCHEMBL15612752

SCHEMBL15612752

CC(C)c1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.59
PLG P00747 2/20 0.59
EPHX2 P34913 1/20 0.53
HDAC8 Q9BY41 8/20 0.53
HDAC6 Q9UBN7 8/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC1 Q13547 7/20 0.52
HDAC2 Q92769 7/20 0.52
HDAC3 O15379 6/20 0.52
HDAC10 Q969S8 4/20 0.50
PPARG P37231 3/20 0.49
HDAC9 Q9UKV0 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 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
SCHEMBL28247458 0.83 PLAU (0.62) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL220038 0.82 PLAU (0.52) PLAUPLGEPHX2HDAC8HDAC6
SCHEMBL30067019 0.81 PLAU (0.60) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL221369 0.81 PLAU (0.60) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL27248488 0.81 PLAU (0.60) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL28648394 0.80 HTR6 (0.57) PLAUPLGEPHX2
SCHEMBL29424817 0.80 PLAU (0.59) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL22533790 0.80 PLAU (0.59) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL22547752 0.80 PLAU (0.59) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL3891994 0.79 PLAU (0.60) PLAUPLGEPHX2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708268-B2 ROR modulators and their uses INNOV17 LLC (US) 2017-07-18 US disclosed
US-9708268-B2 ROR modulators and their uses INNOV17 LLC (US) 2017-07-18 US disclosed
US-20160130231-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC (US) 2016-05-12 US disclosed
US-20160130231-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC (US) 2016-05-12 US disclosed
US-20150073016-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-03-12 US disclosed
US-20150073016-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-03-12 US disclosed
WO-2013166013-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 (2 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-20160130231-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC PLAU 4468/4885PLG 4778/4885EPHX2 963/4885
US-20150073016-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC PLAU 4468/4885PLG 4778/4885EPHX2 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.