SCHEMBL618589

SCHEMBL618589

COc1cc(OC)c2cnc(-c3cc(C)c(OCCN4CCCCCC4)c(C)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.59
IL17A Q16552 1/20 0.59
HDAC6 Q9UBN7 13/20 0.49
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL619094 1.00 BRD4 (0.59) BRD4IL17AHDAC6HDAC3NCOR1
SCHEMBL16516221 0.99 BRD4 (0.60) BRD4IL17AHDAC6HDAC3NCOR1
SCHEMBL619114 0.97 BRD4 (0.58) BRD4IL17AHDAC6HDAC3NCOR1
SCHEMBL616988 0.90 BRD4 (0.51) BRD4IL17AHDAC6HDAC3NCOR1
SCHEMBL616068 0.88 BRD4 (0.46) BRD4IL17APOLB
SCHEMBL618613 0.87 BRD4 (0.49) BRD4IL17A
SCHEMBL616299 0.85 POLB (0.54) BRD4IL17APOLB
SCHEMBL617999 0.85 BRD4 (0.44) BRD4IL17AHDAC6
SCHEMBL347520 0.83 BRD4 (0.47) BRD4HDAC6HDAC3NCOR1HDAC1
SCHEMBL29430467 0.83 BRD4 (0.47) BRD4HDAC6HDAC3NCOR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885IL17A 226/4885HDAC6 592/4885

“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.