SCHEMBL21715432

SCHEMBL21715432

COc1ccc2c(c1OC(C)C)CCC(O)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
ACHE P22303 2/20 0.40
CYP19A1 P11511 3/20 0.37
HSD17B10 Q99714 1/20 0.36
PTPRF P10586 1/20 0.36
ADRA1A P35348 1/20 0.35
CYP1A2 P05177 1/20 0.34
PARP1 P09874 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR6 P50406 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLL Q9UGP5 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21715397 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDACHECYP19A1
SCHEMBL21715389 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDACHECYP19A1
SCHEMBL4119937 0.79 ALDH1A1 (0.60) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL21715425 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDACHECYP19A1
SCHEMBL21715408 0.68 ALDH1A1 (0.57) KDM4EALDH1A1HPGDACHECYP19A1
SCHEMBL9345242 0.68 ADRA1A (0.62) ADRA1ACYP1A2HTR6
SCHEMBL4128606 0.68 KDM4E (0.42) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL354324 0.67 KDM4E (1.00) KDM4EALDH1A1HPGDACHEPARP1
SCHEMBL611321 0.65 ALDH1A1 (0.81) KDM4EALDH1A1HPGDACHEPARP1
SCHEMBL6112770 0.65 ALDH1A1 (0.81) KDM4EALDH1A1HPGDACHEPARP1

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 KDM4E 3545/4885ALDH1A1 2239/4885HPGD 1485/4885
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB KDM4E 3545/4885ALDH1A1 2239/4885HPGD 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.