SCHEMBL6522601

SCHEMBL6522601

CC=C(C(=O)O)C(CC(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MGAM O43451 4/20 0.44
GAA P10253 4/20 0.44
SI P14410 4/20 0.44
MGAM2 Q2M2H8 4/20 0.44
PDPK1 O15530 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6515546 0.84 TSHR (0.55) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL6519417 0.79 MEN1 (0.45) SMN1; SMN2KDM4EHPGDALDH1A1MGAM
SCHEMBL6518781 0.78 ALDH1A1 (0.51) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL11152669 0.78 PTPN1 (0.56) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL30848609 0.76 PTPN1 (0.61) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL4109577 0.76 PTPN1 (0.61) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL6523482 0.75 PTPN1 (0.49) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL657246 0.72 PDPK1 (0.71) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL3104413 0.71 KMO (0.68) PTPN1SMN1; SMN2KDM4EHPGD
SCHEMBL14937221 0.71 AKR1C3 (0.57) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1

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 3105/4885SMN1; SMN2 1768/4885KDM4E 329/4885

“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.