SCHEMBL23106913

SCHEMBL23106913

CC(=O)O[C@H]1CC2=CCCC[C@]2(C)CC1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 14/20 0.36
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31

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
SCHEMBL23106926 0.76 CYP3A4 (0.37) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL24246241 0.75 TDP1 (0.47) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL16230365 0.75 TDP1 (0.47) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL24246245 0.66 CYP19A1 (0.31) CYP19A1
SCHEMBL23106981 0.65 CYP19A1 (0.30) CYP19A1
SCHEMBL24246200 0.65 CYP19A1 (0.30) CYP19A1
SCHEMBL23106982 0.62 SHBG (0.38) CYP19A1CYP3A4
SCHEMBL24246201 0.62 SHBG (0.38) CYP19A1CYP3A4
SCHEMBL16730562 0.62 SHBG (0.38) CYP19A1CYP3A4
SCHEMBL23106925 0.61 CYP19A1 (0.33) CYP19A1

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-12018006-B2 Method of producing EPD and analogues thereof VAN HAAFTEN CAROLINE (NL) 2024-06-25 — — US disclosed
US-20210078965-A1 METHOD OF PRODUCING EPD AND ANALOGUES THEREOF VAN HAAFTEN CAROLINE (NL) 2021-03-18 — — 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-12018006-B2 Method of producing EPD and analogues thereof EPX, EPB41, ERG28 CYP19A1 169/4885CYP3A4 347/4885CYP2C9 319/4885
US-20210078965-A1 METHOD OF PRODUCING EPD AND ANALOGUES THEREOF EPX, EPB41, ERG28 CYP19A1 169/4885CYP3A4 347/4885CYP2C9 319/4885

“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.

Send feedback