SCHEMBL6833633

SCHEMBL6833633

COc1c(I)cc(C(C)C)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
RXRA P19793 2/20 0.39
RARG P13631 1/20 0.39
PPARG P37231 1/20 0.39
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.37
TPMT P51580 1/20 0.33
GABRB1 P18505 1/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 2/20 0.32

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
SCHEMBL14640958 0.85 GABRA1 (0.46) GABRA1GABRB2RXRARARGPPARG
SCHEMBL14203102 0.81 RXRA (0.41) GABRA1GABRB2RXRARARGPPARG
SCHEMBL19237500 0.80 MAPT (0.40) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL22991529 0.79 GABRA1 (0.35) GABRA1GABRB2TPMTGABRB1HTR1A
SCHEMBL19122089 0.78 GABRA1 (0.45) GABRA1GABRB2TPMTGABRB1CYP1A2
SCHEMBL13816283 0.78 ACHE (0.41) GABRA1GABRB2RXRARARGPPARG
SCHEMBL10334357 0.76 GAA (0.42) GABRA1GABRB2RXRARARGPPARG
SCHEMBL14203172 0.75 RXRA (0.46) GABRA1GABRB2RXRARARGPPARG
SCHEMBL24344597 0.73 CYP1A2 (0.38) GABRA1GABRB2RXRARARGPPARG
SCHEMBL16253659 0.73 TAAR1 (0.43) GABRA1GABRB2RXRARARGPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 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 (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-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA GABRA1 197/4885GABRB2 213/4885RXRA 3/4885

“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.