SCHEMBL18909478

SCHEMBL18909478

CCCCCCCC(C)(CCCCCC)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
HTT P42858 1/20 0.49
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CES2 O00748 1/20 0.41
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
GGPS1 O95749 1/20 0.39
SMPD1 P17405 1/20 0.39
FAAH O00519 2/20 0.39

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
SCHEMBL21214454 1.00 MEN1 (0.57) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL18380792 1.00 MEN1 (0.57) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL21303868 0.98 MEN1 (0.56) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL25006887 0.98 MEN1 (0.56) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL27369005 0.96 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL27898588 0.96 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11869885 0.92 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL27924507 0.92 CYP4F2 (0.48) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL27608807 0.90 MEN1 (0.49) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL23906719 0.88 CYP4F2 (0.46) MEN1KMT2AMAPTATML3MBTL1

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-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 MEN1 3492/4885KMT2A 4384/4885MAPT 3095/4885
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 MEN1 4484/4885KMT2A 3228/4885MAPT 4080/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885MAPT 2732/4885

“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.