SCHEMBL18400720

SCHEMBL18400720

CCC(C)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL26168070 0.88 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL1666014 0.86 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL1665641 0.86 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL2064880 0.85 ALDH1A1 (0.58) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL26168090 0.84 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL3932101 0.83 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL7517585 0.83 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4657134 0.82 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4656956 0.82 TSHR (0.52) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL9459074 0.82 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AHPGD

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
US-20220127299-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF LG ELECTRONICS INC. (KR) 2022-04-28 US disclosed
US-10822653-B1 Nucleotide cleavable linkers and uses thereof Singular Genomics Systems, Inc. (US) 2020-11-03 US disclosed
US-20200340051-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2020-10-29 US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 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 (3 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-20200340051-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF NUDT21, CPSF7, DCLRE1A ALDH1A1 3019/4885TSHR 4430/4885MEN1 2454/4885
US-20220127299-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF NUDT21, CPSF7, DCLRE1A ALDH1A1 3019/4885TSHR 4430/4885MEN1 2454/4885
US-10822653-B1 Nucleotide cleavable linkers and uses thereof NUDT21, CPSF7, DCLRE1A ALDH1A1 3019/4885TSHR 4430/4885MEN1 2454/4885

“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.