SCHEMBL6513801

SCHEMBL6513801

C=C(CC(=O)OC1CCCCC1)C(=O)OCC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
CYP19A1 P11511 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL6520993 0.99 ALDH1A1 (0.40) ALDH1A1RAB9ACYP19A1LMNAFAAH
SCHEMBL6522170 0.94 ALDH1A1 (0.43) ALDH1A1RAB9ACYP19A1LMNAFAAH
SCHEMBL6523080 0.88 GAA (0.40) RAB9ACYP19A1LMNAHPGDNPC1
SCHEMBL6515222 0.86 LMNA (0.43) ALDH1A1LMNA
SCHEMBL9355192 0.86 RAB9A (0.47) ALDH1A1RAB9ACYP19A1LMNAFAAH
SCHEMBL6515212 0.84 ALDH1A1 (0.43) ALDH1A1RAB9ACYP19A1LMNAFAAH
SCHEMBL6515141 0.83 CYP19A1 (0.44) ALDH1A1RAB9ACYP19A1LMNAMGLL
SCHEMBL6514907 0.83 ALDH1A1 (0.41) ALDH1A1CYP19A1
SCHEMBL6523837 0.83 CYP2C19 (0.41) ALDH1A1CYP19A1KDM4EHPGDHSD17B10
SCHEMBL6517377 0.83 CYP19A1 (0.41) ALDH1A1CYP19A1LMNAKDM4EHPGD

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 1254/4885RAB9A 2333/4885CYP19A1 2315/4885

“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.