SCHEMBL4773229

SCHEMBL4773229

CCc1ccc(CC=O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
PTGS1 P23219 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX5 P09917 1/20 0.45
AR P10275 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CA2 P00918 1/20 0.42
PTGS2 P35354 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
APLNR P35414 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB1 Q9H4B7 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL17537954 0.91 ALDH1A1 (0.50) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL16131105 0.86 ALDH1A1 (0.69) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL16231312 0.86 ALDH1A1 (0.46) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL24021272 0.85 ALDH1A1 (0.49) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL12797853 0.84 PTGS2 (0.54) ALDH1A1CA2PTGS2TAAR1SMN1; SMN2
SCHEMBL4581487 0.83 ALDH1A1 (0.65) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL30644304 0.82 ALDH1A1 (0.69) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL557409 0.82 ALDH1A1 (0.69) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL13403396 0.82 CYP3A4 (0.56) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL3343652 0.81 ALDH1A1 (0.67) ALDH1A1PPARGPPARDPPARAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 ALDH1A1 261/4885PPARG 2974/4885PPARD 4028/4885

“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.