SCHEMBL11919293

SCHEMBL11919293

CCCCOc1ccc(F)cc1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
FAAH O00519 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 2/20 0.43
HTR2A P28223 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.42
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL23188908 0.91 HTR2C (0.48) L3MBTL1KDM4EMAPTHPGDATM
SCHEMBL18255267 0.86 CYP1A2 (0.42) L3MBTL1KDM4EMAPTFAAHCYP1A2
SCHEMBL18255266 0.86 FAAH (0.46) L3MBTL1FAAHCYP1A2CYP2C19CYP2C9
SCHEMBL18181940 0.85 CNR2 (0.44) L3MBTL1MAPTHPGDFAAHCYP1A2
SCHEMBL25475056 0.85 MRGPRX4 (0.47) L3MBTL1KDM4EMAPTHPGDATM
SCHEMBL28043329 0.84 L3MBTL1 (0.44) L3MBTL1KDM4EMAPTHPGDATM
SCHEMBL18914636 0.84 LTB4R (0.46) L3MBTL1KDM4EMAPTNPSR1KCNH2
SCHEMBL18977773 0.84 L3MBTL1 (0.51) L3MBTL1KDM4EMAPTHPGDATM
SCHEMBL18909839 0.83 PPARG (0.45) FAAHCYP1A2CYP2C19CYP2C9PPARG
SCHEMBL15417752 0.83 L3MBTL1 (0.52) L3MBTL1KDM4EMAPTHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 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 (3 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 L3MBTL1 4707/4885KDM4E 1650/4885MAPT 3911/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 L3MBTL1 4738/4885KDM4E 1527/4885MAPT 3621/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 L3MBTL1 4596/4885KDM4E 1170/4885MAPT 2203/4885

“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.