SCHEMBL6837331

SCHEMBL6837331

CC(C)CCc1c(O)ccc(C(=O)O)c1CCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
MCL1 Q07820 9/20 0.41
BCL2L1 Q07817 5/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
CSNK2A1 P68400 1/20 0.38
LCK P06239 1/20 0.38
KLKB1 P03952 1/20 0.37
CTSB P07858 1/20 0.37
MMP9 P14780 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3B Q9UBC3 1/20 0.37
DNMT3L Q9UJW3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 1/20 0.36
CA12 O43570 2/20 0.36

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
SCHEMBL4608098 0.91 CYP1A2 (0.41) ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL29130568 0.87 KAT8 (0.42) SELLSELPMCL1BCL2L1ALDH1A1
SCHEMBL10398199 0.84 MCL1 (0.38) SELLSELPMCL1BCL2L1CSNK2A1
SCHEMBL10397303 0.83 MCL1 (0.40) SELLSELPMCL1BCL2L1ALDH1A1
SCHEMBL17999118 0.81 RARB (0.40) ALDH1A1KDM4EHSD17B10MAPK1KAT8
SCHEMBL28692384 0.80 MCL1 (0.50) SELLSELPMCL1CSNK2A1LCK
SCHEMBL29789878 0.80 MCL1 (0.50) SELLSELPMCL1CSNK2A1LCK
SCHEMBL27475388 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10MAPK1TSHR
SCHEMBL6445108 0.80 GRIN2D (0.47) MCL1ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL27209002 0.80 PPARA (0.48) ALDH1A1KAT8PPARA

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 SELL 4509/4885SELP 4226/4885MCL1 2174/4885

“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.