SCHEMBL16625623

SCHEMBL16625623

OC(c1ccc(CN2CCc3ccccc32)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
USP2 O75604 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
TNF P01375 1/20 0.47
RORC P51449 4/20 0.44
TRPV1 Q8NER1 2/20 0.44
NR1H3 Q13133 2/20 0.44
DRD4 P21917 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL16558083 0.92 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1809776 0.84 RORC (0.60) RORCNR1H3ALOX5EPHX2
SCHEMBL15525689 0.82 NR1H3 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL15528373 0.82 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL15528711 0.79 ALOX5 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL15529401 0.79 HDAC6 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL15603578 0.79 RORC (0.42) HDAC1HDAC6HDAC8RORCNR1H3
SCHEMBL15529339 0.78 HDAC6 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3850387 0.78 ALDH1A1 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL16558086 0.78 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8

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 HDAC1 460/4885HDAC6 381/4885HDAC3 193/4885

“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.