SCHEMBL6523976

SCHEMBL6523976

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ELANE P08246 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
CTSK P43235 2/20 0.41
TACR1 P25103 1/20 0.41
PRTN3 P24158 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL6523830 0.88 SMN1; SMN2 (0.41) ALDH1A1ELANETDP1CTSBHTT
SCHEMBL6523871 0.82 TDP1 (0.38) TDP1L3MBTL1KDM4E
SCHEMBL3094344 0.81 ALDH1A1 (0.53) ALDH1A1ATMTDP1MAPK1L3MBTL1
SCHEMBL6519680 0.81 L3MBTL1 (0.42) ALDH1A1ELANEATMTDP1MAPK1
SCHEMBL939536 0.81 ALDH1A1 (0.64) ALDH1A1ELANEATMTDP1MAPK1
SCHEMBL6515874 0.79 RAB9A (0.47) ALDH1A1TDP1L3MBTL1KMT2ANPC1
SCHEMBL6514710 0.78 HCAR2 (0.43) ALDH1A1KMT2A
SCHEMBL7213716 0.78 ALDH1A1 (0.56) ALDH1A1ATMTDP1MAPK1L3MBTL1
SCHEMBL939537 0.77 ALDH1A1 (0.60) ALDH1A1ATMTDP1MAPK1L3MBTL1
SCHEMBL998563 0.77 ALDH1A1 (0.60) ALDH1A1ATMTDP1MAPK1L3MBTL1

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 1254/4885ELANE 185/4885ATM 4559/4885

“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.