SCHEMBL4850986

SCHEMBL4850986

CCOc1c(Br)cc(C(C)C)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.41
RARG P13631 1/20 0.41
PPARG P37231 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
POLB P06746 1/20 0.36
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
RARA P10276 1/20 0.36
KMT2A Q03164 1/20 0.35
FABP5 Q01469 1/20 0.35
CRHR1 P34998 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
SCHEMBL6682834 0.88 RXRA (0.44) RXRARARGPPARGTHRBALDH1A1
SCHEMBL10212529 0.86 RXRA (0.46) RXRARARGPPARGGABRA1GABRB2
SCHEMBL31063327 0.82 THRB (0.39) RXRARARGPPARGTHRBALDH1A1
SCHEMBL6692114 0.82 LMNA (0.43) RXRARARGPPARGALDH1A1HTT
SCHEMBL19726456 0.81 CRHR1 (0.46) ALDH1A1HTTSMN1; SMN2KMT2ACRHR1
SCHEMBL10269004 0.79 RXRA (0.42) RXRARARGPPARGALDH1A1GABRA1
SCHEMBL8780259 0.79 GLRA1 (0.53) THRBALDH1A1SMN1; SMN2KMT2A
SCHEMBL14203102 0.78 RXRA (0.41) RXRARARGPPARGTHRBGABRA1
SCHEMBL12392187 0.78 RXRA (0.41) RXRARARGPPARGALDH1A1HTT
SCHEMBL11264823 0.76 GABRA1 (0.50) RXRARARGPPARGTHRBALDH1A1

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 1/4885RARG 5/4885PPARG 18/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885RARG 5/4885PPARG 19/4885

“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.