SCHEMBL4852964

SCHEMBL4852964

CCCOc1c(B(O)O)cc(C(C)C)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.46
PPARG P37231 7/20 0.46
RARG P13631 4/20 0.46
RARB P10826 3/20 0.41
RXRB P28702 5/20 0.40
RXRG P48443 5/20 0.40
RARA P10276 4/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 1/20 0.34

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
SCHEMBL4852194 0.92 RXRA (0.46) RXRAPPARGRARGRARBRXRB
SCHEMBL4857191 0.89 RXRA (0.42) RXRAPPARGRARGRARBRXRB
SCHEMBL4862597 0.85 RARB (0.43) RXRAPPARGRARGRARBRXRB
SCHEMBL4862635 0.81 GABRA1 (0.36) RXRAPPARGRARGRARBRXRB
SCHEMBL4860363 0.80 RXRA (0.46) RXRAPPARGRARGRARBRXRB
SCHEMBL4861540 0.79 RXRA (0.47) RXRAPPARGRARGRARBRXRB
SCHEMBL4858958 0.78 GABRA1 (0.41) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL6682834 0.78 RXRA (0.44) RXRAPPARGRARGRARBRXRB
SCHEMBL9191371 0.75 RXRA (0.60) RXRAPPARGRARGRARBRXRB
SCHEMBL6687586 0.74 RXRA (0.53) RXRAPPARGRARGRARBRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004069781-A2 7-(3,5-DIISOPROPYLPHENYL) HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. (US) 2004-08-19 WO disclosed
US-6759546-B1 REDUCING SERUM GLUCOSE AND SERUM TRIGLYCERIDE LEVELS IN DIABETIC MAMMALS WITHOUT THE UNDESIRABLE PROPERTY OF REDUCING SERUM THYROXINE LEVELS ALLERGAN, INC. 2004-07-06 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 WO 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885PPARG 18/4885RARG 5/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885PPARG 19/4885RARG 5/4885

“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.