SCHEMBL1913997

SCHEMBL1913997

COc1cc(Br)cc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.55
CNR2 P34972 2/20 0.46
ERN1 O75460 4/20 0.43
HDAC11 Q96DB2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HDAC2 Q92769 1/20 0.41
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25558997 0.84 MEN1 (0.43) FAAHCNR2HDAC11ALDH1A1HPGD
SCHEMBL3313324 0.83 FAAH (0.53) FAAHCNR2HDAC11ALDH1A1HDAC2
SCHEMBL25558996 0.79 FAAH (0.45) FAAHCNR2HDAC11ALDH1A1HDAC2
SCHEMBL23802006 0.78 RARA (0.45) FAAHERN1HDAC11ALDH1A1HPGD
SCHEMBL1074076 0.78 PKM (0.57) FAAHCNR2ALDH1A1HPGDRARA
SCHEMBL3309247 0.78 HDAC11 (0.43) FAAHCNR2HDAC11ALDH1A1HDAC2
SCHEMBL178217 0.78 RARA (0.51) FAAHCNR2HDAC11ALDH1A1HDAC2
SCHEMBL29535143 0.78 RARA (0.51) FAAHCNR2HDAC11ALDH1A1HDAC2
SCHEMBL9121523 0.77 RARA (0.46) FAAHCNR2HDAC11ALDH1A1HPGD
SCHEMBL819782 0.77 RARA (0.50) FAAHCNR2HDAC11ALDH1A1HDAC2

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 5 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
CN-102892755-A Therapeutic compounds UNIV WAYNE STATE 2013-01-23 CN disclosed
EP-2516396-A1 THERAPEUTIC COMPOUNDS Wayne State University (US) 2012-10-31 EP 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 4217/4885ERN1 685/4885

“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.