SCHEMBL20125707

SCHEMBL20125707

C[C@H]1CCC[C@]2(C)[C@H]3CC[C@](C)(/C=C/F)CC3=CC[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42

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
SCHEMBL17891657 0.74 RXRA (0.77) RXRARXRBRXRG
SCHEMBL18688311 0.62 CYP19A1 (0.35) —
SCHEMBL24511936 0.61 CYP19A1 (0.63) RXRARXRBRXRG
SCHEMBL6596976 0.61 ALOX15 (0.57) —
SCHEMBL21322300 0.61 TRPA1 (0.58) —
SCHEMBL21977552 0.59 RXRA (0.71) RXRARXRBRXRG
Isopimaric Acid SCHEMBL13702083 0.59 RXRA (1.00) RXRARXRBRXRG
Isopimaric Acid SCHEMBL2603438 0.59 RXRA (1.00) RXRARXRBRXRG
Isopimaric Acid SCHEMBL15744755 0.59 RXRA (1.00) RXRARXRBRXRG
SCHEMBL9946957 0.58 ALOX15 (0.48) —

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-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH 2018-05-10 — — 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-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS RXRA 785/4885RXRB 589/4885RXRG 898/4885

“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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