SCHEMBL13910163

SCHEMBL13910163

CC(C)C[C@H]1CC[C@H](CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.38
▸ BRD4 O60885 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MAPT P10636 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
SCHEMBL6035467 1.00 ESR2 (0.38) ESR2BRD4TSHRMAPT
SCHEMBL2461 0.82 — —
SCHEMBL21775731 0.82 OPRK1 (0.34) —
SCHEMBL102654 0.80 APLNR (0.35) ESR2TSHR
SCHEMBL19862576 0.80 APLNR (0.35) ESR2TSHR
SCHEMBL24197652 0.79 ESR2 (0.50) ESR2BRD4
SCHEMBL240852 0.79 ESR2 (0.50) ESR2BRD4
SCHEMBL5733 0.79 — —
SCHEMBL13223460 0.77 ESR2 (0.42) ESR2BRD4
SCHEMBL2702409 0.77 ESR2 (0.42) ESR2BRD4

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-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 — — US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 — — 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-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP ESR2 3763/4885BRD4 496/4885TSHR 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.

Send feedback