SCHEMBL21715380

SCHEMBL21715380

CCOC(=O)CC(=O)CCc1cccc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HIF1A Q16665 1/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL30753435 1.00 LMNA (0.48) LMNAMAPTSMN1; SMN2CA12CA1
SCHEMBL21715451 0.89 CYP4F2 (0.41) LMNAMAPTSMN1; SMN2CA12CA1
SCHEMBL30753448 0.89 CYP4F2 (0.41) LMNAMAPTSMN1; SMN2CA12CA1
SCHEMBL490337 0.89 CYP4F2 (0.57) LMNAMAPTSMN1; SMN2CA12CA1
SCHEMBL21715406 0.89 CA12 (0.51) CA12CA1CA2CA14ALDH1A1
SCHEMBL30753439 0.89 CA12 (0.51) CA12CA1CA2CA14ALDH1A1
SCHEMBL14721724 0.88 ALDH1A1 (0.48) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL28873178 0.88 CYP4F2 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1CYP4F2
SCHEMBL21715447 0.85 DRD2 (0.45) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30753446 0.85 DRD2 (0.45) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112789035-B Benzocycloheptene analogues and related compounds having activity as anticancer agents 贝勒大学 2024-02-09 CN disclosed
EP-3836910-A1 BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS Baylor University (US) 2021-06-23 EP disclosed
CN-112789035-A Benzocycloheptene analogs and related compounds having activity as anticancer agents 贝勒大学 2021-05-11 CN disclosed
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
WO-2020037209-A1 BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS BAYLOR UNIVERSITY (US) 2020-02-20 WO 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 LMNA 927/4885MAPT 111/4885SMN1; SMN2 2568/4885
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB LMNA 927/4885MAPT 111/4885SMN1; SMN2 2568/4885

“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.