SCHEMBL6522599

SCHEMBL6522599

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 1/20 0.41
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
JAK1 P23458 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6515543 0.84 MAPT (0.42) SMN1; SMN2KDM4EHPGDPTPN1ALDH1A1
SCHEMBL6519409 0.80 HPGD (0.43) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL6518777 0.79 NPC1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ACES2
SCHEMBL6966043 0.78 PTPN1 (0.61) SMN1; SMN2KDM4EHPGDPTPN1ALDH1A1
SCHEMBL6523480 0.76 PTPN1 (0.48) SMN1; SMN2KDM4EHPGDPTPN1ALDH1A1
SCHEMBL6520257 0.71 ELANE (0.39) ALDH1A1MAPTKMT2ATDP1
SCHEMBL30848507 0.71 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EHPGDPTPN1ALDH1A1
SCHEMBL8531622 0.70 MAPT (0.52) SMN1; SMN2KDM4EHPGDPTPN1ALDH1A1
Beta-Naphtoic Acid SCHEMBL27462248 0.70 KDM4E (0.54) SMN1; SMN2KDM4EHPGDPTPN1ALDH1A1
SCHEMBL6520274 0.70 CES1 (0.40) SMN1; SMN2ALDH1A1CES2CES1MEN1

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 SMN1; SMN2 1768/4885KDM4E 329/4885HPGD 4110/4885

“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.