SCHEMBL2353185

SCHEMBL2353185

CCCC(c1ccc2c(c1)CCC2=O)C(CC)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.43
▸ CYP11B2 P19099 8/20 0.43
▸ CYP17A1 P05093 12/20 0.40
▸ TBXAS1 P24557 2/20 0.38
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ CYP19A1 P11511 2/20 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
SCHEMBL2356874 0.84 CYP17A1 (0.53) CYP11B1CYP11B2CYP17A1TBXAS1PDE3B
SCHEMBL2354549 0.81 CYP17A1 (0.51) CYP11B1CYP11B2CYP17A1TBXAS1PDE3B
SCHEMBL2355387 0.76 CYP17A1 (0.53) CYP11B1CYP11B2CYP17A1
SCHEMBL2353198 0.72 CYP11B1 (0.38) CYP11B1CYP11B2CYP17A1TBXAS1PDE3B
SCHEMBL2351262 0.71 CYP11B2 (0.57) CYP11B1CYP11B2CYP17A1TBXAS1PDE3B
SCHEMBL10463339 0.67 TBXAS1 (0.64) CYP11B1CYP11B2CYP17A1TBXAS1PDE3B
SCHEMBL2353202 0.66 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL5597316 0.65 HSD17B1 (0.36) CYP11B1CYP11B2
SCHEMBL2351210 0.65 CYP17A1 (0.51) CYP11B1CYP11B2CYP17A1
SCHEMBL6173000 0.65 MAOB (0.51) —

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-8008333-B2 Inducing ovulation; increasing response to follicle stimulating hormone ARES TRADING S.A. (CH) 2011-08-30 — — US disclosed
US-20040171660-A1 Single dose aromatase inhibitor for treating infertility ARES TRADINS S.A. (CH) 2004-09-02 — — 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 (1 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-20040171660-A1 Single dose aromatase inhibitor for treating infertility CYP19A1, FSHR, SHBG CYP11B1 56/4885CYP11B2 99/4885CYP17A1 4/4885

“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.

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