SCHEMBL17868756

SCHEMBL17868756

C[C@H]1CCCC[C@H]1OC[C]=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
CYP2D6 P10635 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL21467457 0.79 CHRM2 (0.43) CYP19A1CA1CA2CA4
SCHEMBL19055335 0.73 ALDH1A1 (0.39) CYP19A1CA1CA2CA4
SCHEMBL16378461 0.73 ALDH1A1 (0.39) CYP19A1CA1CA2CA4
SCHEMBL19055312 0.73 ALDH1A1 (0.39) CYP19A1CA1CA2CA4
SCHEMBL257683 0.73 ALDH1A1 (0.39) CYP19A1CA1CA2CA4
SCHEMBL10388648 0.71 CYP19A1 (0.33) CYP19A1CYP2D6CA1CA2CA4
SCHEMBL12165146 0.71 ALDH1A1 (0.38) CYP19A1CA1CA2CA4
SCHEMBL137091 0.71 CYP19A1 (0.33) CYP19A1CYP2D6CA1CA2CA4
SCHEMBL12165148 0.71 ALDH1A1 (0.38) CYP19A1CA1CA2CA4
SCHEMBL14952751 0.71 CYP19A1 (0.34) CYP19A1CYP2D6CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT CYP19A1 3519/4885CYP2D6 4452/4885CA1 4572/4885

“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.