SCHEMBL20042276

SCHEMBL20042276

CCOC(=O)C(C)(C)CC(C)(C)Oc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.45
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL20042294 0.81 MAPT (0.43) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL20042055 0.73 ALDH1A1 (0.55) ALDH1A1KMT2AHTTPKMSMN1; SMN2
SCHEMBL5062448 0.72 HTT (0.54) ALDH1A1KMT2AHTTPKMSMN1; SMN2
SCHEMBL28103119 0.72 HTT (0.57) ALDH1A1KMT2AHTTPKMSMN1; SMN2
Urethane SCHEMBL2070142 0.72 HTT (0.70) ALDH1A1KMT2AHTTPKMSMN1; SMN2
SCHEMBL1008451 0.72 HTT (0.60) ALDH1A1KMT2AHTTPKMSMN1; SMN2
SCHEMBL755761 0.71 FBP1 (0.55) ALDH1A1KMT2ASMN1; SMN2PPARGPPARA
SCHEMBL5925521 0.71 MAPT (0.62) ALDH1A1KMT2AHTTPKMSMN1; SMN2
SCHEMBL4941803 0.71 SMN1; SMN2 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
Methyl Alcohol SCHEMBL27770206 0.71 HTT (0.68) ALDH1A1KMT2AHTTPKMSMN1; SMN2

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-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-12 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-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF HDAC1, HDAC5, HDAC9 ALDH1A1 671/4885KMT2A 31/4885HTT 777/4885

“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.