SCHEMBL443309

SCHEMBL443309

CCCCC(N)(C(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.42
▸ HTR7 P34969 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 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
SCHEMBL28298816 0.90 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A
Hydrochloric Acid SCHEMBL28231578 0.89 PNMT (0.44) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL28052119 0.88 PNMT (0.48) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL28231581 0.88 PNMT (0.39) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL31206830 0.87 PNMT (0.39) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL27931504 0.87 PNMT (0.41) PNMTHTR7HTR2BNPC1RAB9A
Tetrahydrofuran SCHEMBL27937988 0.85 PNMT (0.41) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL27523353 0.85 PNMT (0.44) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL28815019 0.84 SMN1; SMN2 (0.46) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL27931294 0.83 NQO2 (0.38) PNMTDRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924414-A Compound for promoting Abeta clearance and preparation method and application thereof 中山大学 2024-04-26 — — CN claimed
CN-117924414-A Compound for promoting Abeta clearance and preparation method and application thereof 中山大学 2024-04-26 — — CN disclosed
US-20120065299-A1 Reactive graphtic carbon nanofiber reinforced polymeric composites LUKEHART CHARLES M (US) 2012-03-15 — — US disclosed
US-8048940-B2 Reactive graphitic carbon nanofiber reinforced polymeric composites showing enhanced flexural strength VANDERBILT UNIVERSITY (US) 2011-11-01 — — US disclosed
US-20060217482-A1 Reactive graphitic carbon nanofiber reinforced polymeric composites showing enhanced flexural strength VANDERBILT UNIVERSITY 2006-09-28 — — 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-20120065299-A1 Reactive graphtic carbon nanofiber reinforced polymeric composites GMNN, GLMN, GCN1 PNMT 732/4885HTR7 3789/4885HTR2B 3662/4885

“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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