SCHEMBL21715439

SCHEMBL21715439

COc1ccc2c(c1C#N)CCCC=C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NOTUM Q6P988 1/20 0.41
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL21715400 0.93 NOTUM (0.42) MAPK1HSD17B10KDM4ENOTUMUSP2
SCHEMBL6113102 0.85 KDM4E (0.47) KDM4EHPGD
SCHEMBL22560166 0.83 BRD4 (0.38)
SCHEMBL30753441 0.83 BRD4 (0.38)
SCHEMBL21715385 0.81 BRD4 (0.35) KDM4EHPGD
SCHEMBL6112857 0.81 NOTUM (0.38) NOTUM
SCHEMBL1771400 0.81 TUBB4A (0.43)
SCHEMBL6112784 0.81 DHFR (0.38) MAPK1HSD17B10KDM4EADORA1
SCHEMBL6112836 0.81 BRD4 (0.38)
SCHEMBL21715430 0.80 PDE1A (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 2 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-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 MAPK1 2541/4885HSD17B10 1596/4885KDM4E 3545/4885
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB MAPK1 2541/4885HSD17B10 1596/4885KDM4E 3545/4885

“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.