SCHEMBL6112784

SCHEMBL6112784

COc1ccc2c(c1N)CCCC=C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL5189213 0.92 ADORA1 (0.38) ADORA1
SCHEMBL6113102 0.88 KDM4E (0.47) KDM4E
SCHEMBL22560166 0.86 BRD4 (0.38)
SCHEMBL30753441 0.86 BRD4 (0.38)
SCHEMBL6112857 0.85 NOTUM (0.38)
SCHEMBL1771400 0.85 TUBB4A (0.43)
SCHEMBL6112836 0.85 BRD4 (0.38)
SCHEMBL21715385 0.85 BRD4 (0.35) KDM4E
SCHEMBL21715430 0.82 PDE1A (0.38)
SCHEMBL21715427 0.81 PTPRF (0.39)

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
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 WO disclosed
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 DHFR 1043/4885KDM4E 232/4885MAPK1 3811/4885

“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.