SCHEMBL1914545

SCHEMBL1914545

CCOC(=O)/C=C/c1cnc(-c2cc(OC)c(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC2 Q92769 1/20 0.42
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 2/20 0.39

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
SCHEMBL13505368 0.91 HDAC11 (0.46) FAAHCNR2HDAC11HDAC2ALDH1A1
SCHEMBL14974246 0.87 HDAC11 (0.47) HDAC11HDAC2ALDH1A1MAPTLMNA
SCHEMBL1914437 0.87 HDAC11 (0.47) HDAC11HDAC2ALDH1A1MAPTLMNA
SCHEMBL1913982 0.85 LMNA (0.42) HDAC11HDAC2CA12CA4CA6
SCHEMBL1914067 0.84 HDAC11 (0.45) HDAC11HDAC2LMNAALOX5FDPS
SCHEMBL1914546 0.82 FAAH (0.44) FAAHCNR2HDAC11HDAC2ALDH1A1
SCHEMBL1913925 0.81 IKBKB (0.41) FAAHCNR2HDAC11CA12CA4
SCHEMBL1914342 0.81 HDAC11 (0.44) HDAC11HDAC2ALDH1A1MAPTLMNA
SCHEMBL2387853 0.81 HDAC11 (0.49) HDAC11HDAC2CA12CA4CA6
SCHEMBL27601283 0.81 HDAC11 (0.49) HDAC11HDAC2CA12CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096544-B2 Therapeutic compounds WAYNE STATE UNIVERSITY (US) 2015-08-04 US disclosed
US-20130137699-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-30 US disclosed
WO-2011079305-A1 THERAPEUTIC COMPOUNDS WAYNE STATE UNIVERSITY (US) 2011-06-30 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-20130137699-A1 THERAPEUTIC COMPOUNDS BAX, MCL1, TMBIM6 FAAH 4542/4885CNR2 4217/4885HDAC11 294/4885

“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.