SCHEMBL4586959

SCHEMBL4586959

C=CCCCCCCCCCOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1OCCCCCCCCCC=C)Cc1cccc(c1O)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 6/20 0.48
GSTP1 P09211 6/20 0.48
PTPRC P08575 4/20 0.46
PTPN2 P17706 4/20 0.46
PTPN1 P18031 4/20 0.46
PTPRB P23467 4/20 0.46
PTPN11 Q06124 4/20 0.46
CD69 Q07108 2/20 0.45
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LGALS1 P09382 1/20 0.33

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
SCHEMBL761363 0.81 GSTA1 (0.67) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL760971 0.78 GSTA1 (0.65) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL8556505 0.75 GSTA1 (0.41) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL1473328 0.71 CD69 (0.48) PTPRCCD69HPGDLGALS1
SCHEMBL29206252 0.71 KDM4E (0.40) LPAR3LPAR2ALDH1A1L3MBTL1USP2
SCHEMBL31267632 0.70 LPAR3 (0.38) LPAR3LPAR2ALDH1A1L3MBTL1ESR1
SCHEMBL17138208 0.68 PRSS1 (0.46) ALDH1A1L3MBTL1HPGDTDP1
SCHEMBL30702676 0.68 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL16581484 0.68 KDM4E (0.49) LPAR3LPAR2ALDH1A1L3MBTL1USP2
SCHEMBL6067606 0.68 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080206103-A1 Method For The Preparation Of Very Stable, Self-Assembled Monolayers On The Surface Of Gold Coated Microcantilevers For Application To Chemical Sensing UT-BATTELLE, LLC (US) 2008-08-28 US disclosed
EP-1794580-A2 SELF-ASSEMBLED MONOLAYERS ON THE SURFACE OF GOLD COATED MICROCANTILEVERS FOR APPLICATION TO CHEMICAL SENSING AND METHOD OF PREPARATION UT-Battelle, LLC (US) 2007-06-13 EP disclosed
WO-2006031846-A2 SELF-ASSEMBLED MONOLAYERS ON THE SURFACE OF GOLD COATED MICROCANTILEVERS FOR APPLICATION TO CHEMICAL SENSING AND METHOD OF OPERATION UT-BATTELLE, LLC (US) 2006-03-23 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-20080206103-A1 Method For The Preparation Of Very Stable, Self-Assembled Monolayers On The Surface Of Gold Coated Microcantilevers For Application To Chemical Sensing CALU, CALR, CALD1 GSTA1 2165/4885GSTP1 2894/4885PTPRC 1439/4885

“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.