SCHEMBL7344648

SCHEMBL7344648

O=C(O)CC(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ALDH1A1 P00352 8/20 0.49
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4A O75164 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
APP P05067 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1556056 0.92 MAOB (0.54) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL10639294 0.87 MAOB (0.49) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL20598466 0.86 MAOB (0.54) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL27809104 0.85 MAPK1 (0.52) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL12815050 0.85 ALDH1A1 (0.51) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL28416934 0.84 ALDH1A1 (0.57) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL602067 0.84 MAOB (0.55) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL602068 0.84 MAOB (0.55) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL1759352 0.83 MAOB (0.55) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL28409395 0.83 MAOB (0.51) MAOBALDH1A1HTTTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY 2022-09-29 US disclosed
WO-2020247605-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY (US) 2020-12-10 WO disclosed
WO-2020247605-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY (US) 2020-12-10 WO disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO 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-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES NSUN3, TARBP1, TRDMT1 MAOB 4171/4885ALDH1A1 3034/4885HTT 759/4885

“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.