SCHEMBL17536646

SCHEMBL17536646

COc1ccc(CCC(=O)c2c(O)cc(O)c(OC)c2OC)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.74
TUBB1 Q9H4B7 5/20 0.56
TUBB4A P04350 4/20 0.56
TUBB P07437 4/20 0.56
TUBA3C P0DPH7 4/20 0.56
TUBA1B P68363 4/20 0.56
TUBA4A P68366 4/20 0.56
TUBB4B P68371 4/20 0.56
TUBB3 Q13509 4/20 0.56
TUBB2A Q13885 4/20 0.56
TUBB8 Q3ZCM7 4/20 0.56
TUBA3E Q6PEY2 4/20 0.56
TUBA1A Q71U36 4/20 0.56
TUBA1C Q9BQE3 4/20 0.56
TUBB6 Q9BUF5 4/20 0.56
TUBB2B Q9BVA1 4/20 0.56
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SLC5A1 P13866 1/20 0.52

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
SCHEMBL17536647 0.92 CYP19A1 (0.74) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL31275137 0.92 CYP19A1 (0.74) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL15457886 0.85 CYP19A1 (0.89) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL29386339 0.85 CYP19A1 (1.00) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL10328452 0.85 CYP19A1 (1.00) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17536651 0.84 CYP19A1 (0.62) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL14071710 0.84 CYP19A1 (0.82) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL27183069 0.83 CYP19A1 (0.72) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL3674958 0.82 CYP19A1 (0.80) CYP19A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL31511906 0.82 CYP19A1 (0.80) CYP19A1TUBB1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994460-B1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES UNIV INDIANA RES & TECH CORP (US) 2024-12-04 EP disclosed
US-10738024-B2 Compounds for treatment of angiogenesis-mediated diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2020-08-11 US disclosed
US-10238627-B2 Compounds for treatment of angiogenesis-mediated diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-03-26 US disclosed
US-20180177758-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-28 US disclosed
US-20160060241-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-03-03 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 (4 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-10738024-B2 Compounds for treatment of angiogenesis-mediated diseases KDR, TEK, VEGFA CYP19A1 260/4885TUBB1 393/4885TUBB4A 466/4885
US-20180177758-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES KDR, TEK, VEGFA CYP19A1 260/4885TUBB1 393/4885TUBB4A 466/4885
US-20160060241-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES KDR, TEK, VEGFA CYP19A1 260/4885TUBB1 393/4885TUBB4A 466/4885
US-10238627-B2 Compounds for treatment of angiogenesis-mediated diseases KDR, TEK, VEGFA CYP19A1 260/4885TUBB1 393/4885TUBB4A 466/4885

“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.