SCHEMBL6519461

SCHEMBL6519461

COC(=O)CC(Cc1ccccc1)=C(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
AKR1B1 P15121 1/20 0.44
PAM P19021 1/20 0.44
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL6518657 0.86 TDP1 (0.42) ALDH1A1KDM4ELMNAAKR1B1PAM
SCHEMBL6520613 0.85 CYP19A1 (0.48) ALDH1A1AKR1B1PAMTSHRL3MBTL1
SCHEMBL9354985 0.85 AKR1B1 (0.56) ALDH1A1LMNAAKR1B1PAMTSHR
SCHEMBL6521011 0.84 AKR1B1 (0.47) ALDH1A1KDM4ELMNAAKR1B1PAM
SCHEMBL6515919 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAPAMTSHR
SCHEMBL9355509 0.82 AKR1B1 (0.48) ALDH1A1KDM4ELMNAAKR1B1PAM
SCHEMBL6518738 0.81 AKR1B1 (0.44) KDM4EAKR1B1PAMSMN1; SMN2CES2
SCHEMBL9355218 0.81 AKR1B1 (0.44) ALDH1A1KDM4ELMNAAKR1B1PAM
SCHEMBL6518183 0.80 RECQL (0.45) ALDH1A1KDM4ELMNAL3MBTL1MAPK1
SCHEMBL6518197 0.79 MEN1 (0.50) ALDH1A1KDM4EAKR1B1L3MBTL1MAPK1

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 1254/4885KDM4E 329/4885LMNA 2459/4885

“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.