SCHEMBL11599145

SCHEMBL11599145

CC1(C)CCC(C)(C)c2cc3c(cc21)C(C)(C)CCC3(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.42
RXRB P28702 11/20 0.42
RARG P13631 9/20 0.42
RXRG P48443 8/20 0.42
RARB P10826 8/20 0.42
RARA P10276 6/20 0.39
CYP26A1 O43174 2/20 0.38
CYP3A4 P08684 1/20 0.38
CRABP2 P29373 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7622765 0.84 RXRA (0.48) RXRARXRBRARGRXRGRARB
SCHEMBL15347776 0.82 RXRA (0.50) RXRARXRBRARGRXRGRARB
SCHEMBL6678059 0.82 RXRA (0.49) RXRARXRBRARGRXRGRARB
SCHEMBL9867812 0.82 PTK2 (0.44) RXRARXRBRARGRXRGRARB
SCHEMBL31686025 0.79 TSHR (0.33)
SCHEMBL8308844 0.78 RXRA (0.43) RXRARXRBRARGRXRGRARB
SCHEMBL6939291 0.78 RXRA (0.36) RXRARXRBRARGRXRGRARB
SCHEMBL5009416 0.78 RXRA (0.41) RXRARXRBRARGRXRGRARB
SCHEMBL9054118 0.78 RARB (0.47) RXRARXRBRARGRXRGRARB
SCHEMBL15348324 0.78 RXRA (0.51) RXRARXRBRARGRXRGRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107304172-B Octahydroanthracene compound and preparation method and application thereof 沈阳药科大学 2020-04-03 CN disclosed
US-10399931-B2 Octahydroanthracene compound, preparation method and application thereof SHANDONG XINHUA PHARMACEUTICAL CO., LTD. (CN) 2019-09-03 US disclosed
US-20190071393-A1 Octahydroanthracene Compound, Preparation Method and Application Thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2019-03-07 US disclosed
US-4123469-A Process for production of bicyclic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-31 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-10399931-B2 Octahydroanthracene compound, preparation method and application thereof ODC1, OTC, TMT1A RXRA 2834/4885RXRB 2239/4885RARG 3904/4885
US-20190071393-A1 Octahydroanthracene Compound, Preparation Method and Application Thereof ODC1, OTC, TMT1A RXRA 2834/4885RXRB 2239/4885RARG 3904/4885

“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.