SCHEMBL1629994

SCHEMBL1629994

[CH2]CCC(O)COCCCCCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
HTT P42858 2/20 0.62
LPAR5 Q9H1C0 4/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
SPHK1 Q9NYA1 1/20 0.49
PLA2G2C Q5R387 3/20 0.46
LPAR1 Q92633 7/20 0.45
LPAR3 Q9UBY5 7/20 0.45
LPAR2 Q9HBW0 4/20 0.42
LPAR6 P43657 3/20 0.42
LPAR4 Q99677 3/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL28254598 0.92 USP2 (0.53) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL19257794 0.88 USP2 (0.74) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL9330015 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL21187461 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL4295700 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL11230218 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL1629995 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL10893424 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL7644994 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL10511992 0.86 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4

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
EP-3250177-A1 HAIR TREATMENT COMPOSITION Lonza Ltd (CH) 2017-12-06 EP disclosed
WO-2016120851-A1 HAIR TREATMENT COMPOSITION LONZA LTD. (CH) 2016-08-04 WO disclosed
US-20110089073-A1 Methods And Compositions For Hydrophobic Modification Of Oral Cavity Surfaces THE PROCTER & GAMBLE COMPANY (US) 2011-04-21 US disclosed
US-5632998-A Personal care compositions containing hydrophobic graft copolymer and hydrophobic, volatile solvent THE PROCTER & GAMBLE COMPANY (US) 1997-05-27 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-20110089073-A1 Methods And Compositions For Hydrophobic Modification Of Oral Cavity Surfaces PTMS, TAS2R39, CASP3 USP2 1599/4885HTT 1126/4885LPAR5 2739/4885

“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.