SCHEMBL21715431

SCHEMBL21715431

COc1cc(C2=CCCCc3c2ccc(OC)c3OCCO)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL21715411 0.88 KDM4E (0.34) KDM4EALDH1A1HPGD
SCHEMBL6113102 0.88 KDM4E (0.47) KDM4EALDH1A1HPGD
SCHEMBL21715430 0.85 PDE1A (0.38)
SCHEMBL1771400 0.82 TUBB4A (0.43) TUBB1
SCHEMBL6112804 0.82 KDM4E (0.43) KDM4EALDH1A1HPGD
SCHEMBL22560166 0.81 BRD4 (0.38)
SCHEMBL30753441 0.81 BRD4 (0.38)
SCHEMBL6112857 0.80 NOTUM (0.38)
SCHEMBL6112784 0.80 DHFR (0.38) KDM4E
SCHEMBL21715385 0.80 BRD4 (0.35) KDM4EALDH1A1HPGD

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-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents BAYLOR UNIVERSITY (US) 2020-10-20 US disclosed
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents BAYLOR UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055805-A1 BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS BAYLOR UNIVERSITY (US) 2020-02-20 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 (2 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-20200055805-A1 BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS TUBB1, TUBB3, TUBB TUBB1 1/4885KDM4E 3545/4885ALDH1A1 2239/4885
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB TUBB1 1/4885KDM4E 3545/4885ALDH1A1 2239/4885

“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.