SCHEMBL6517413

SCHEMBL6517413

CCC(CC(=O)c1ccccc1)=C(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CES1 P23141 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ERCC5 P28715 2/20 0.50
FEN1 P39748 2/20 0.50
PTPN1 P18031 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.43
PLOD2 O00469 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL6513321 0.90 MEN1 (0.59) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6518197 0.82 MEN1 (0.50) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6515228 0.81 KMT2A (0.42) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6515550 0.81 MEN1 (0.57) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6514711 0.80 KMT2A (0.44) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6517554 0.79 KMT2A (0.59) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6517563 0.79 KMT2A (0.59) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL9355509 0.78 AKR1B1 (0.48) MEN1KMT2AHPGDSMN1; SMN2CES1
SCHEMBL6516145 0.78 TSHR (0.41) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL7384951 0.77 CES1 (0.46) MEN1KMT2ACYP3A4MAPTHPGD

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 MEN1 3248/4885KMT2A 1067/4885CYP3A4 3473/4885

“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.