SCHEMBL21715385

SCHEMBL21715385

COc1ccc2c(c1Br)CCCC=C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MC4R P32245 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6113102 0.88 KDM4E (0.47) BRD4KDM4EALDH1A1HPGD
SCHEMBL22560166 0.86 BRD4 (0.38) BRD4
SCHEMBL30753441 0.86 BRD4 (0.38) BRD4
SCHEMBL6112857 0.85 NOTUM (0.38) BRD4
SCHEMBL6112784 0.85 DHFR (0.38) KDM4E
SCHEMBL1771400 0.85 TUBB4A (0.43)
SCHEMBL6112836 0.85 BRD4 (0.38) BRD4
SCHEMBL21715430 0.82 PDE1A (0.38) BRD4
SCHEMBL21715439 0.81 MAPK1 (0.45) KDM4EHPGD
SCHEMBL6113057 0.81 CYP1A2 (0.43) MEN1MAPTKMT2A

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 BRD4 32/4885KDM4E 3545/4885ALDH1A1 2239/4885
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB BRD4 32/4885KDM4E 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.