SCHEMBL9980805

SCHEMBL9980805

O=C(O)CC[C@@H](C(=O)OCc1ccccc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.44
FABP5 Q01469 3/20 0.44
FABP3 P05413 1/20 0.44
FOLH1 Q04609 5/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CPA3 P15088 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9980807 1.00 FABP4 (0.44) FABP4FABP5FABP3FOLH1HTT
SCHEMBL9987125 0.87 ALDH1A1 (0.44) FABP4FABP5FABP3ALDH1A1KDM4E
SCHEMBL9980815 0.85 FNTA (0.41) FABP4FABP5FABP3ALDH1A1MAPK1
SCHEMBL9980814 0.85 FNTA (0.41) FABP4FABP5FABP3ALDH1A1MAPK1
SCHEMBL9980936 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4L3MBTL1SLC6A2
SCHEMBL9980934 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4L3MBTL1SLC6A2
SCHEMBL7206047 0.76 RAB9A (0.45) FOLH1HTTALDH1A1SLC6A2SLC6A3
SCHEMBL25448705 0.75 ALDH1A1 (0.53) FOLH1HTTALDH1A1CPA3MAPK1
SCHEMBL21430281 0.75 ALDH1A1 (0.53) FOLH1HTTALDH1A1CPA3MAPK1
SCHEMBL27280701 0.75 ALDH1A1 (0.53) FOLH1HTTALDH1A1CPA3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486534-B2 Surface-modified polymer films BAR-ILAN UNIVERSITY (IL) 2013-07-16 US disclosed
US-8486534-B2 Surface-modified polymer films BAR-ILAN UNIVERSITY (IL) 2013-07-16 US disclosed
US-8486534-B2 Surface-modified polymer films BAR-ILAN UNIVERSITY (IL) 2013-07-16 US disclosed
US-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 US disclosed
US-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 US disclosed
US-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 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-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS PARN, ITGAM, PARG FABP4 2547/4885FABP5 1309/4885FABP3 1543/4885

“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.