SCHEMBL6112977

SCHEMBL6112977

COc1cc(C2=CCCCc3cc(O)ccc32)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.48
CA9 Q16790 1/20 0.41
CALCRL Q16602 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL1771602 0.86 ALDH1A1 (0.48)
SCHEMBL1771400 0.82 TUBB4A (0.43)
SCHEMBL6112766 0.79 CCNB2 (0.47)
SCHEMBL19273718 0.79 MAOA (0.49) MIFESR1
SCHEMBL1771493 0.79 TUBB4A (0.42)
SCHEMBL1771491 0.79 TUBB4A (0.42)
SCHEMBL6113150 0.78 CCNB2 (0.40)
SCHEMBL6112986 0.78 ERN1 (0.40)
SCHEMBL7633012 0.77 MPO (0.54)
SCHEMBL6113102 0.77 KDM4E (0.47)

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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 US disclosed
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 MIF 4737/4885CA9 3104/4885CALCRL 4577/4885

“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.