SCHEMBL4862739

SCHEMBL4862739

CC(C)c1cc(I)c(O)c(C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.63
GABRB2 P47870 3/20 0.63
GABRB1 P18505 5/20 0.56
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
FABP3 P05413 2/20 0.45
FABP4 P15090 2/20 0.45
FABP5 Q01469 1/20 0.44
TTR P02766 2/20 0.42
GSR P00390 1/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 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
SCHEMBL7927718 0.89 TTR (0.52) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL94533 0.84 GABRA1 (0.77) GABRA1GABRB2GABRB1CA1CA2
Ammonia Solution, Strong SCHEMBL28098766 0.81 GABRA1 (0.74) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL18778629 0.80 PTGS1 (0.44) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL7927726 0.80 GABRA1 (0.78) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL1617739 0.77 GABRA1 (1.00) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL15064751 0.77 GABRA1 (0.68) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL817922 0.77 GABRA1 (0.72) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL6943696 0.76 GABRA1 (0.65) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL30467045 0.76 GABRA1 (0.65) GABRA1GABRB2GABRB1CA1CA2

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 GABRA1 344/4885GABRB2 816/4885GABRB1 640/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB GABRA1 337/4885GABRB2 884/4885GABRB1 644/4885

“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.