SCHEMBL14969341

SCHEMBL14969341

COCCc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
ALOX5 P09917 1/20 0.46
DAO P14920 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
POLQ O75417 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL12016034 0.89 IDO1 (0.49) IDO1SLC6A2SLC6A4ALOX5DAO
SCHEMBL13547856 0.82 ALDH1A1 (0.39) IDO1SLC6A2SLC6A4ALOX5KDM4E
SCHEMBL17329111 0.81 IDO1 (0.59) IDO1SLC6A2SLC6A4DAOMAOB
SCHEMBL24242035 0.81 ALOX5 (0.45) IDO1SLC6A2SLC6A4ALOX5MAOB
SCHEMBL3243413 0.80 IDO1 (0.47) IDO1SLC6A2SLC6A4ALOX5DAO
SCHEMBL30810173 0.80 IDO1 (0.56) IDO1SLC6A2SLC6A4ALOX5SCN8A
SCHEMBL514613 0.80 IDO1 (0.66) IDO1SLC6A2SLC6A4SCN8AMAOB
SCHEMBL30278981 0.79 TSHR (0.45) IDO1KDM4EALDH1A1TSHRHTT
SCHEMBL2873340 0.79 TSHR (0.45) IDO1KDM4EALDH1A1TSHRHTT
SCHEMBL327569 0.78 IDO1 (0.52) IDO1SLC6A2SLC6A4DAOMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 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 (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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B IDO1 1190/4885SLC6A2 2173/4885SLC6A4 1029/4885

“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.