SCHEMBL6514728

SCHEMBL6514728

Cc1ccc(C(=O)COC(=O)/C=C/C(=O)Oc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL6522136 0.90 ALDH1A1 (0.48) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6516054 0.81 NPC1 (0.60) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6514443 0.80 ALDH1A1 (0.47) RAB9AKMT2AMAPTALDH1A1KDM4E
SCHEMBL6515144 0.80 NPC1 (0.50) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL11646433 0.79 TDP1 (0.62) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL11040570 0.79 HSD17B10 (0.59) RAB9AKMT2AMAPTALDH1A1KDM4E
SCHEMBL10707682 0.79 HSD17B10 (0.59) RAB9AKMT2AMAPTALDH1A1KDM4E
SCHEMBL2834574 0.79 HSD17B10 (0.59) RAB9AKMT2AMAPTALDH1A1KDM4E
SCHEMBL6514405 0.78 NPC1 (0.60) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6520793 0.77 KMT2A (0.44) RAB9ANPC1KMT2AMAPTALDH1A1

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 RAB9A 2333/4885NPC1 3563/4885KMT2A 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.