SCHEMBL6112786

SCHEMBL6112786

COc1cc(C2=CCCCc3c2ccc(OC)c3O)cc(O)c1O

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6113157 0.95 KDM4E (0.37) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL1771400 0.90 TUBB4A (0.43)
SCHEMBL1771493 0.86 TUBB4A (0.42)
SCHEMBL1771491 0.86 TUBB4A (0.42)
SCHEMBL6112804 0.85 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL6113173 0.82 TUBB4A (0.44)
SCHEMBL6113150 0.78 CCNB2 (0.40) MAPT
SCHEMBL6113102 0.77 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL6112766 0.76 CCNB2 (0.47) MAPT
SCHEMBL22560166 0.75 BRD4 (0.38)

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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 KDM4E 232/4885MEN1 963/4885NPC1 3997/4885

“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.