SCHEMBL21715451

SCHEMBL21715451

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPK1 P28482 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
SCHEMBL30753448 1.00 CYP4F2 (0.41) CYP4F2CYP4A11HPGDHTTCTSG
SCHEMBL30753435 0.89 LMNA (0.48) CYP4F2CYP4A11CTSGCMA1ALDH1A1
SCHEMBL21715380 0.89 LMNA (0.48) CYP4F2CYP4A11CTSGCMA1ALDH1A1
SCHEMBL28873178 0.82 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL21715429 0.81 HPGD (0.40) CYP4F2CYP4A11HPGDHTTALDH1A1
SCHEMBL30753436 0.81 HPGD (0.40) CYP4F2CYP4A11HPGDHTTALDH1A1
SCHEMBL14721724 0.80 ALDH1A1 (0.48) CYP4F2CYP4A11HPGDHTTALDH1A1
SCHEMBL21715447 0.80 DRD2 (0.45) CYP4F2CYP4A11HPGDCTSGCMA1
SCHEMBL30753446 0.80 DRD2 (0.45) CYP4F2CYP4A11HPGDCTSGCMA1
SCHEMBL3407322 0.80 CTSG (0.48) HPGDHTTCTSGCMA1ALDH1A1

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
US-20200055805-A1 BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS BAYLOR UNIVERSITY (US) 2020-02-20 US disclosed
WO-2020037209-A1 BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS BAYLOR UNIVERSITY (US) 2020-02-20 WO 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 CYP4F2 3707/4885CYP4A11 2939/4885HPGD 1485/4885
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB CYP4F2 3707/4885CYP4A11 2939/4885HPGD 1485/4885

“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.