SCHEMBL7561874

SCHEMBL7561874

OCCCCOCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
NR4A2 P43354 2/20 0.49
MAOB P27338 6/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
ACP3 P15309 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TACR1 P25103 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MMP1 P03956 1/20 0.44
MMP12 P39900 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL30810275 0.89 IDO1 (0.60) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL13736041 0.89 IDO1 (0.60) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL2094006 0.85 IDO1 (0.55) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL9472054 0.83 IDO1 (0.49) IDO1TACR1
SCHEMBL20378939 0.82 MAOB (0.53) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL27708411 0.82 IDO1 (0.72) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL10754623 0.81 IDO1 (0.51) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL10735077 0.80 IDO1 (0.50) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL20378822 0.80 NR4A2 (0.48) IDO1PRKCAPRKCDNR4A2MAOB
SCHEMBL1008512 0.80 GBA1 (0.52) IDO1MAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 IDO1 859/4885PRKCA 2635/4885PRKCD 3622/4885

“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.