SCHEMBL6807832

SCHEMBL6807832

NC(CCC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.48
▸ HTR7 P34969 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ LTA4H P09960 3/20 0.37
▸ SLC1A3 P43003 3/20 0.37
▸ SLC1A2 P43004 3/20 0.37
▸ SLC1A1 P43005 3/20 0.37
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ MC5R P33032 1/20 0.35
▸ MC1R Q01726 1/20 0.35
▸ PTGER1 P34995 2/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ PTGER3 P43115 2/20 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
SCHEMBL6807840 1.00 PNMT (0.48) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL9188893 0.89 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL4970480 0.89 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3484494 0.89 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL4131017 0.86 PNMT (0.44) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8008416 0.86 PNMT (0.44) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8190225 0.85 PNMT (0.50) PNMTHTR7HTR2BNPC1RAB9A
Bromide SCHEMBL15671137 0.85 PNMT (0.54) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6807838 0.85 PNMT (0.47) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6810950 0.84 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134778-B Charge inversion type polymer micelle, drug-loaded micelle and preparation method thereof 西南民族大学 2021-03-09 — — CN disclosed
US-20040204348-A1 Cyclic peptide ligands that target urokinase plasminogen activator receptor THE ANGSTROM PHARMACEUTICALS, INC. 2004-10-14 — — US disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 — — EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 — — EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES — 1996-05-30 — — WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 — — WO disclosed
EP-0538399-A4 — — 1994-05-04 — — EP 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-20040204348-A1 Cyclic peptide ligands that target urokinase plasminogen activator receptor PLAUR, PLAU, PLG PNMT 4622/4885HTR7 2978/4885HTR2B 2618/4885

“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.

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