SCHEMBL18425852

SCHEMBL18425852

COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.67
▸ POLB P06746 2/20 0.65
▸ KMT2A Q03164 7/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ MITF O75030 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ PKM P14618 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ FKBP1A P62942 1/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL1928480 0.90 ALDH1A1 (0.63) ALDH1A1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL5391758 0.90 ALDH1A1 (0.60) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL4028062 0.84 ALDH1A1 (0.50) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL1294980 0.81 ALDH1A1 (0.71) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL4025535 0.81 HPGD (0.52) ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5059357 0.80 KDM4E (0.66) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL28575185 0.79 ALDH1A1 (0.68) ALDH1A1POLBKMT2AKDM4EHTT
SCHEMBL2086647 0.79 KMT2A (0.61) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL31428602 0.79 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL5692309 0.79 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMAPTKDM4E

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-20250051296-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-02-13 — — US disclosed
US-12103917-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-10-01 — — US disclosed
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-30 — — US disclosed
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-06-08 — — US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 — — US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 — — US disclosed
WO-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — WO disclosed
WO-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — 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 (5 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-20250051296-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD ALDH1A1 3918/4885POLB 4229/4885KMT2A 2739/4885
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD ALDH1A1 3918/4885POLB 4229/4885KMT2A 2739/4885
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD ALDH1A1 3918/4885POLB 4229/4885KMT2A 2739/4885
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof MYC, MYCBP, MLYCD ALDH1A1 3918/4885POLB 4229/4885KMT2A 2739/4885
US-12103917-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof MYC, MYCBP, MLYCD ALDH1A1 3918/4885POLB 4229/4885KMT2A 2739/4885

“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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