SCHEMBL5488010

SCHEMBL5488010

CC(=O)c1ccc(O)c(C)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL6767839 0.83 CSNK2A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL10148236 0.83 HPGD (0.46) MAPTALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL30792209 0.83 HPGD (0.46) MAPTALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL15495180 0.81 SELL (0.45) MAPTALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL30884786 0.81 SELL (0.45) MAPTALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL23112646 0.81 HPGD (0.41) MAPTALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL4621035 0.81 CES2 (0.45) SMN1; SMN2KMT2AMAOAMAOBESR1
SCHEMBL4777676 0.80 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL17732596 0.79 KDM4E (0.43) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL24820610 0.79 CA12 (0.50) MAPTALDH1A1SMN1; SMN2HPGDGAA

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-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG MAPT 3688/4885ALDH1A1 447/4885SMN1; SMN2 3980/4885

“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.