SCHEMBL15524910

SCHEMBL15524910

Nc1ccc2c(c1)CCN2Cc1ccc(C2(O)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.42
HDAC6 Q9UBN7 10/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 8/20 0.41
EPHX2 P34913 6/20 0.41
HDAC10 Q969S8 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL15528358 0.85 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15524904 0.81 DRD4 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15526051 0.79 ALOX5 (0.55) ALOX5EPHX2KDM4EALDH1A1
SCHEMBL5780419 0.78 ALOX5 (0.55) HDAC1HDAC6ALOX5EPHX2ALDH1A1
SCHEMBL31577322 0.78 ALOX5 (0.55) HDAC1HDAC6ALOX5EPHX2ALDH1A1
SCHEMBL15529441 0.77 HDAC1 (0.42) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL7476041 0.77 ALOX5 (0.48) ALOX5EPHX2KDM4EMEN1ALDH1A1
SCHEMBL8118083 0.75 ADRB3 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15524922 0.74 LMNA (0.41) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15524906 0.74 KDM4E (0.43) HDAC1HDAC6HDAC8HDAC3HDAC4

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 HDAC1 583/4885HDAC6 501/4885HDAC8 535/4885

“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.