SCHEMBL2353198

SCHEMBL2353198

CCC(CCCCc1ccc2c(c1)CCC2=O)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ CYP17A1 P05093 5/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ TBXAS1 P24557 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ EIF2AK3 Q9NZJ5 1/20 0.32

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
SCHEMBL6751891 0.77 HMOX1 (0.53) CYP19A1TBXAS1
SCHEMBL2356874 0.73 CYP17A1 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1
SCHEMBL4552528 0.73 CASP1 (0.46) HSD17B1
SCHEMBL4816440 0.73 TBXAS1 (0.48) CYP17A1CYP19A1TBXAS1KCNJ1KCNH2
SCHEMBL2353185 0.72 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1
SCHEMBL14495944 0.71 GPR3 (0.46) TBXAS1HSD17B1
SCHEMBL2015419 0.71 GPR3 (0.46) TBXAS1HSD17B1
SCHEMBL3238273 0.71 CASP1 (0.47) HSD17B1
SCHEMBL6752974 0.70 HMOX1 (0.51) CYP19A1TBXAS1
SCHEMBL2347295 0.70 CYP17A1 (0.60) CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1

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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