SCHEMBL23630740

SCHEMBL23630740

O=C1CCC2CC1CCC21OCCO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.32
ESR1 P03372 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
SCHEMBL13421816 1.00 ESR2 (0.32) ESR2ESR1
SCHEMBL8183244 1.00 ESR2 (0.32) ESR2ESR1
SCHEMBL6675166 0.67 CYP3A4 (0.35)
SCHEMBL24718077 0.64
SCHEMBL23080510 0.64 CYP3A4 (0.39)
SCHEMBL28160935 0.64 CYP3A4 (0.39)
SCHEMBL3224313 0.63 CA1 (0.32) ESR2
SCHEMBL15957272 0.63 CA1 (0.32) ESR2
SCHEMBL16996620 0.60
Ethylene SCHEMBL3215921 0.60

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-11267786-B2 [3.3.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-03-08 US disclosed
US-20210214308-A1 NOVEL [3.3.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-15 US disclosed
US-20210214308-A1 NOVEL [3.3.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-15 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 (2 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-20210214308-A1 NOVEL [3.3.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU ESR2 4044/4885ESR1 4859/4885
US-11267786-B2 [3.3.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU ESR2 3930/4885ESR1 4859/4885

“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.