SCHEMBL26781840

SCHEMBL26781840

C[C@H](/C=C/[C@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.56
▸ IDO1 P14902 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8247254 0.86 HTR2A (0.60) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL29171050 0.84 HTR2A (0.59) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL11098324 0.83 HTR2A (0.58) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL11149132 0.82 HTR2A (0.56) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL11147561 0.82 HTR2A (0.56) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL9820376 0.81 IDO1 (0.56) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL9782567 0.81 IDO1 (0.56) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL11149224 0.81 HTR2A (0.55) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL5724349 0.81 HTR2A (0.55) HTR2AIDO1HTTRAB9AALDH1A1
SCHEMBL27787126 0.81 HTR2A (0.55) HTR2AIDO1HTTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374174-A1 Circularly Recyclable Polymers Featuring Topochemically Elongated Carbon-Carbon Bonds PURDUE RESEARCH FOUNDATION (US) 2023-11-23 — — 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-20230374174-A1 Circularly Recyclable Polymers Featuring Topochemically Elongated Carbon-Carbon Bonds PCNA, PARG, VIM HTR2A 4437/4885IDO1 4333/4885HTT 978/4885

“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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