SCHEMBL260301

SCHEMBL260301

CC(C)OCc1ccc(-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
NFE2L2 Q16236 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KIF11 P52732 1/20 0.37
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.36
PYCR1 P32322 1/20 0.36
FFAR1 O14842 1/20 0.36
AGXT P21549 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL260335 0.94 IDO1 (0.63) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL1337524 0.89 IDO1 (0.41) IDO1PPARGPPARAAGXT
SCHEMBL23110124 0.83 RXRA (0.62) IDO1RXRARXRBL3MBTL1KDM4E
SCHEMBL649272 0.82 IDO1 (0.44) IDO1POLBAGXT
SCHEMBL12591833 0.82 IDO1 (0.59) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL12936629 0.82 IDO1 (0.55) IDO1PPARGPPARAAGXT
SCHEMBL12134094 0.82 ERN1 (0.40) IDO1PPARGPPARAL3MBTL1AGXT
SCHEMBL24478689 0.77 APP (0.45) IDO1PPARGPPARAHPGDKIF11
SCHEMBL23421663 0.77 IDO1 (0.53) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL8145077 0.77 IDO1 (0.47) IDO1L3MBTL1RAB9ASMN1; SMN2AGXT

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-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US disclosed
US-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US 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-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B IDO1 3699/4885RXRA 638/4885RXRB 1262/4885
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B IDO1 3934/4885RXRA 601/4885RXRB 1105/4885

“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.