SCHEMBL7557331

SCHEMBL7557331

C=C(CCOCc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.51
NR4A2 P43354 2/20 0.51
FFAR1 O14842 1/20 0.51
IDO1 P14902 2/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
MAOB P27338 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MMP1 P03956 1/20 0.45
MMP12 P39900 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL6789636 0.82 FFAR4 (0.53) FFAR4NR4A2FFAR1THRATHRB
SCHEMBL7564964 0.82 IDO1 (0.49) FFAR4NR4A2FFAR1IDO1THRA
SCHEMBL466108 0.80 SMN1; SMN2 (0.49) ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL7561923 0.77 MEN1 (0.49) IDO1MAOBMRGPRX4MMP1MMP12
SCHEMBL13736041 0.77 IDO1 (0.60) FFAR4NR4A2FFAR1IDO1PRKCA
SCHEMBL1573160 0.77 SMN1; SMN2 (0.47) ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL30810275 0.77 IDO1 (0.60) FFAR4NR4A2FFAR1IDO1PRKCA
SCHEMBL20378939 0.76 MAOB (0.53) FFAR4NR4A2FFAR1IDO1THRA
SCHEMBL27708411 0.76 IDO1 (0.72) NR4A2IDO1PRKCAPRKCDMAOB
SCHEMBL1578604 0.76 MAPK14 (0.58) NR4A2MRGPRX4ALDH1A1HTTL3MBTL1

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 FFAR4 4676/4885NR4A2 3970/4885FFAR1 4414/4885

“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.