SCHEMBL6523936

SCHEMBL6523936

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 2/20 0.40
CA2 P00918 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CETP P11597 3/20 0.39
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MBOAT4 Q96T53 1/20 0.35
SLC15A1 P46059 1/20 0.34

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
SCHEMBL6516551 0.85 CNR2 (0.41) ALDH1A1CYP3A4CA2CETPMAPK1
SCHEMBL6517019 0.81 RECQL (0.40) ALDH1A1CYP3A4CA2MAPK1L3MBTL1
SCHEMBL6523907 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL6519498 0.80 ALOX5 (0.36) ALDH1A1CYP3A4CA2L3MBTL1TSHR
SCHEMBL6517076 0.80 CYP3A4 (0.36) ALDH1A1CYP3A4CA2L3MBTL1TSHR
SCHEMBL227552 0.78 CA2 (0.41) ALDH1A1CYP3A4CA2MAPK1L3MBTL1
SCHEMBL6514830 0.77 CA2 (0.36) ALDH1A1CYP3A4CA2MAPK1L3MBTL1
SCHEMBL32684619 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2CTSLCTSS
SCHEMBL21650572 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2CTSLCTSS
SCHEMBL6520709 0.75 ALDH1A1 (0.34) ALDH1A1CYP3A4CA2MAPK1L3MBTL1

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 1254/4885CYP3A4 3473/4885CA2 3748/4885

“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.