SCHEMBL6516615

SCHEMBL6516615

CC(=O)CC(C(=O)O)=C(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
SRD5A2 P31213 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GSK3B P49841 1/20 0.40
HTT P42858 3/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 2/20 0.38
ATM Q13315 2/20 0.38

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
SCHEMBL6516608 1.00 NPC1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6513300 0.85 MAPT (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6513293 0.85 MAPT (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6514410 0.81 KMT2A (0.69) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6516056 0.81 KMT2A (0.69) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6516050 0.81 KMT2A (0.69) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6514402 0.81 KMT2A (0.69) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL10777265 0.78 ALDH1A1 (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6523935 0.78 L3MBTL1 (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6523942 0.78 L3MBTL1 (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1

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 NPC1 3563/4885RAB9A 2333/4885KMT2A 1067/4885

“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.