SCHEMBL7042380

SCHEMBL7042380

C=C(CC(=O)O)C(=O)OC(C(=O)Oc1cccc2ccccc12)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP1 P29466 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL7044012 0.82 ALDH1A1 (0.38) ALDH1A1GAAKMT2APKMMEN1
SCHEMBL7041596 0.79 KEAP1 (0.40) ALDH1A1HPGDKMT2APKMRAB9A
SCHEMBL7043067 0.77 PSMB5 (0.46) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL7042226 0.75 PKM (0.36) ALDH1A1PKML3MBTL1NPSR1
SCHEMBL6520793 0.73 KMT2A (0.44) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL6516694 0.73 MEN1 (0.44) SLC6A2SLC6A4ALDH1A1HSD17B10MAPK1
SCHEMBL7044014 0.72 ALDH1A1 (0.38) ALDH1A1GAAKDM4ETDP1KMT2A
SCHEMBL7041600 0.71 CYP3A4 (0.42) ALDH1A1HPGDKMT2APKMRAB9A
SCHEMBL7040584 0.71 HPGD (0.40) SLC6A4ALDH1A1KDM4EHPGDTDP1
SCHEMBL10347207 0.70 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1PGRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 SLC6A2 4646/4885SLC6A4 4850/4885ALDH1A1 1254/4885

“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.