SCHEMBL4863445

SCHEMBL4863445

CCOc1c(B(O)O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.44
PPARG P37231 9/20 0.44
RARG P13631 3/20 0.44
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
ELANE P08246 1/20 0.34
CD69 Q07108 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HMGCR P04035 1/20 0.33

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
SCHEMBL4852936 0.87 RXRA (0.46) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL4860379 0.85 RXRA (0.47) RXRAPPARGRARGCYP3A4NR5A2
SCHEMBL6478275 0.84 RXRA (0.44) RXRAPPARGRARGCYP3A4NR5A2
SCHEMBL4855803 0.83 EGFR (0.34) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL4856035 0.82 RXRA (0.47) RXRAPPARGRARGELANECD69
SCHEMBL14203397 0.81 RXRA (0.49) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL18456401 0.81 RXRA (0.45) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL936302 0.80 RARG (0.41) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL14227116 0.79 RXRA (0.43) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL6472385 0.79 LIPE (0.49) RXRACYP1A2CYP3A4CYP2C9TSHR

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 6 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
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.