SCHEMBL4291632

SCHEMBL4291632

CC(=O)CCn1cncn1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.69
ALDH1A1 P00352 2/20 0.52
TNKS2 Q9H2K2 1/20 0.42
FDPS P14324 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13995828 0.89 EGLN3 (0.59) EGLN3ALDH1A1FDPSMEN1KMT2A
SCHEMBL28263721 0.83 EGLN3 (0.74) EGLN3ALDH1A1TNKS2FDPSMEN1
SCHEMBL7197057 0.82 EGLN3 (1.00) EGLN3ALDH1A1TNKS2FDPSMEN1
SCHEMBL10514858 0.81 EGLN3 (0.65) EGLN3ALDH1A1TNKS2FDPSMEN1
Hydrochloric Acid SCHEMBL10637029 0.80 EGLN3 (0.96) EGLN3ALDH1A1TNKS2FDPSPKM
SCHEMBL10637015 0.80 EGLN3 (0.69) EGLN3ALDH1A1TNKS2FDPSMEN1
SCHEMBL1178524 0.80 EGLN3 (0.69) EGLN3ALDH1A1TNKS2FDPSMEN1
SCHEMBL30161886 0.79 EGLN3 (0.62) EGLN3ALDH1A1TNKS2MEN1KMT2A
SCHEMBL18072254 0.79 EGLN3 (0.62) EGLN3ALDH1A1TNKS2MEN1KMT2A
SCHEMBL10516198 0.79 EGLN3 (0.62) EGLN3ALDH1A1TNKS2FDPSMEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117165127-A Sealing material for hydrogen production electrolytic tank and gasket structure thereof 镇江春环密封件集团有限公司 2023-12-05 CN claimed
CN-117165127-A Sealing material for hydrogen production electrolytic tank and gasket structure thereof 镇江春环密封件集团有限公司 2023-12-05 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0329015-A2 Substituted triazoles BAYER AG (DE) 1989-08-23 EP disclosed
EP-0297393-A2 1-Phenoxy-3-triazolyl-hex-1-ene-derivatives BAYER AG (DE) 1989-01-04 EP disclosed
EP-0116729-B1 BENZOYLUREA COMPOUNDS AND PESTICIDAL COMPOSITIONS COMPRISINGSAME DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-10-12 EP disclosed
EP-0116728-B1 COMPOSITION ACTIVE AGAINST MITES, WHITEFLY AND THRIPS, PHARMACEUTICAL COMPOSITION, AND NEW BENZOYLUREAU COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-08-12 EP disclosed
EP-0079635-B1 ARYLPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-05-21 EP disclosed
EP-0065334-B1 NEW PYRAZOLINE DERIVATIVES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS INSECTICIDAL COMPOSITIONS ON THE BASIS OF THESE COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-07-17 EP disclosed
EP-0031173-B1 NEW NITROTHIOPHENES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS FUNGICIDAL AND/OR BACTERICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-09-14 EP disclosed
EP-0021506-B1 NEW PYRAZOLINE DERIVATIVES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS INSECTICIDAL COMPOSITION ON THE BASIS OF THESE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-09-07 EP disclosed
EP-0002678-A2 Azolylalkyl-pyridinyl ethers, process for their preparation and their use as fungicides BAYER AG (DE) 1979-07-11 EP 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 (6 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 EGLN3 1613/4885ALDH1A1 1991/4885TNKS2 281/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 EGLN3 1613/4885ALDH1A1 1991/4885TNKS2 281/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 EGLN3 1613/4885ALDH1A1 1991/4885TNKS2 281/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 EGLN3 348/4885ALDH1A1 438/4885TNKS2 2815/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 EGLN3 1613/4885ALDH1A1 1991/4885TNKS2 281/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 EGLN3 1910/4885ALDH1A1 102/4885TNKS2 3991/4885

“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.