SCHEMBL2046

SCHEMBL2046

CCOC(=O)C(CC)(CC)CN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
HTT P42858 1/20 0.36
PIN1 Q13526 1/20 0.35
MMP8 P22894 1/20 0.35

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
Hydrochloric Acid SCHEMBL719464 0.98 CYP4F2 (0.53) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
Ethylenediamine SCHEMBL3498869 0.86 CYP4F2 (0.55) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
SCHEMBL444076 0.85 CYP4F2 (0.63) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
SCHEMBL28231496 0.84 CYP4F2 (0.63) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL49875 0.83 CYP4F2 (0.61) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
SCHEMBL28872935 0.83 CYP4F2 (0.61) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
SCHEMBL11001997 0.83 CYP4F2 (0.61) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL27834192 0.82 SOAT1 (0.50) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2
SCHEMBL504042 0.82 CYP4F2 (0.55) CYP4F2CYP4A11ALOX15ALDH1A1LMNA
Bromide SCHEMBL25233680 0.81 CYP4F2 (0.59) CYP4F2CYP4A11ALOX15ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP claimed
CN-1266118-C Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides NOVARTIS AG (CH) 2006-07-26 CN disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
CN-1550491-A Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides ��˹��ŵ�� 2004-12-01 CN disclosed
CN-1153759-C Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides ��˹��ŵ�� 2004-06-16 CN disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0287471-B1 CARBOXYSTYRENE DERIVATIVES AND DRUGS CONTAINING THEM AS EFFECTIVE INGREDIENTS MITSUBISHI KASEI CORPORATION (JP) 1992-09-09 EP disclosed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4925861-A LEUKOTRIENE ANTAGONISTS, PHOSPHOLIPASE INHIBITORS MITSUBISHI KASEI CORPORATION (JP) 1990-05-15 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0287471-A2 Carboxystyrene derivatives and drugs containing them as effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1988-10-19 EP disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 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 (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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 CYP4F2 2904/4885CYP4A11 705/4885ALOX15 353/4885

“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.