SCHEMBL6523490

SCHEMBL6523490

CC(CC(=O)c1cccc2ccccc12)=C(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
GMNN O75496 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CMKLR1 Q99788 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL6525891 0.87 PTPN1 (0.53) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3371176 0.84 PTPN1 (0.65) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6514650 0.84 PTPN1 (0.53) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6514661 0.84 PTPN1 (0.53) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6518030 0.83 PTPN1 (0.49) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6517354 0.81 NR1H4 (0.49) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6514922 0.79 ALDH1A1 (0.44) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4707024 0.79 PTPN1 (0.62) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL29457006 0.79 PTPN1 (0.71) PTPN1ALDH1A1HPGDMAPTKDM4E
SCHEMBL5857951 0.79 PTPN1 (0.71) PTPN1ALDH1A1HPGDMAPTKDM4E

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 PTPN1 3105/4885ALDH1A1 1254/4885HPGD 4110/4885

“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.