SCHEMBL17299276

SCHEMBL17299276

CC1CCC[C@]2(C)C([C@@H](C)CCI)=CC[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ ACHE P22303 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
SCHEMBL15045291 1.00 ESR1 (0.39) ESR1ESR2ACHE
SCHEMBL17299260 1.00 ESR1 (0.39) ESR1ESR2ACHE
SCHEMBL10071336 1.00 ESR1 (0.39) ESR1ESR2ACHE
SCHEMBL13298432 0.86 ESR1 (0.51) ESR1ESR2ACHE
SCHEMBL17299270 0.86 ESR1 (0.51) ESR1ESR2ACHE
SCHEMBL17299259 0.86 ESR1 (0.51) ESR1ESR2ACHE
SCHEMBL17299641 0.86 ESR1 (0.51) ESR1ESR2ACHE
SCHEMBL17299275 0.86 ESR1 (0.51) ESR1ESR2ACHE
SCHEMBL15045295 0.86 ESR1 (0.51) ESR1ESR2ACHE
SCHEMBL13298442 0.83 ESR1 (0.40) ESR1ESR2ACHE

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-9994508-B2 Versatile and functionalised intermediates for the synthesis of vitamin D and novel vitamin D derivatives ENDOTHERM GMBH (DE) 2018-06-12 — — US disclosed
US-20150344421-A1 Versatile and Functionalised Intermediates for the Synthesis of Vitamin D and Novel Vitamin D Derivatives ENDOTHERM GMBH (DE) 2015-12-03 — — 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-20150344421-A1 Versatile and Functionalised Intermediates for the Synthesis of Vitamin D and Novel Vitamin D Derivatives VDR, CYP24A1, CYP2R1 ESR1 615/4885ESR2 441/4885ACHE 3898/4885

“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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