SCHEMBL6909578

SCHEMBL6909578

CCOc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.64
HNF4A P41235 9/20 0.64
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
RARA P10276 2/20 0.58
RARB P10826 2/20 0.58
RARG P13631 2/20 0.58
RXRB P28702 2/20 0.58
RXRG P48443 2/20 0.58
CA9 Q16790 1/20 0.47

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
SCHEMBL727284 0.88 RXRA (0.60) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL5861140 0.86 RXRA (0.63) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL6916820 0.85 RXRA (0.58) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL6917792 0.84 RXRA (0.57) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL6913948 0.84 RXRA (0.57) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL4423837 0.83 RXRA (0.62) RXRAHNF4ACYP3A4RARARARB
SCHEMBL6910700 0.83 RXRA (0.47) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL6917780 0.82 RXRA (0.46) RXRAHNF4ACYP3A4TSHRRARA
SCHEMBL6917161 0.81 MAOB (0.55) RXRAHNF4ARARARARBRARG
SCHEMBL12418596 0.80 RXRA (0.50) RXRARARARARBRARGRXRB

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-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA RXRA 3/4885HNF4A 118/4885CYP3A4 514/4885

“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.