SCHEMBL6517062

SCHEMBL6517062

O=C(CC(C(=O)O)C(=Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC15A1 P46059 2/20 0.46
LMNA P02545 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CDC25B P30305 1/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CA12 O43570 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 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
SCHEMBL6514389 0.91 LMNA (0.45) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL6521069 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL6515807 0.81 AKR1C3 (0.42) ALDH1A1CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6518843 0.81 TSHR (0.41) ALDH1A1LMNAKMT2ATDP1MEN1
SCHEMBL6517374 0.80 CYP19A1 (0.38) ALDH1A1CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6515989 0.78 CYP3A4 (0.53) ALDH1A1L3MBTL1CYP3A4CYP2C9TDP1
SCHEMBL6514905 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1CYP3A4
SCHEMBL6520258 0.76 AKR1C3 (0.50) ALDH1A1LMNACYP3A4CYP2C9KMT2A
SCHEMBL10661140 0.76 LMNA (0.56) ALDH1A1MAPK1L3MBTL1LMNAHCAR2
SCHEMBL12500129 0.76 LMNA (0.56) ALDH1A1MAPK1L3MBTL1LMNAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
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 ALDH1A1 1254/4885MAPK1 1916/4885L3MBTL1 1615/4885

“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.