SCHEMBL17755142

SCHEMBL17755142

CC(C)O[C@@H]1CCCC[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 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
SCHEMBL8289680 1.00 CA1 (0.35) CA1CA2CA4CYP2D6CYP19A1
SCHEMBL18371921 1.00 CA1 (0.35) CA1CA2CA4CYP2D6CYP19A1
SCHEMBL19374768 1.00 CA1 (0.35) CA1CA2CA4CYP2D6CYP19A1
SCHEMBL21081499 1.00 CA1 (0.35) CA1CA2CA4CYP2D6CYP19A1
SCHEMBL18371919 1.00 CA1 (0.35) CA1CA2CA4CYP2D6CYP19A1
SCHEMBL10136554 0.95 CYP2D6 (0.33) CYP2D6
SCHEMBL18371916 0.95 CYP2D6 (0.33) CYP2D6
SCHEMBL18371917 0.95 CYP2D6 (0.33) CYP2D6
SCHEMBL788724 0.84 KDM4E (0.32)
SCHEMBL788707 0.84 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-20160137595-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-19 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-20160137595-A1 IDO INHIBITORS IDO1, IDO2, TDO2 CA1 3461/4885CA2 2639/4885CA4 3188/4885

“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.