SCHEMBL2293450

SCHEMBL2293450

CCOC(=O)C1[CH]CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
TLR4 O00206 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17870979 1.00 ALDH1A1 (0.41) ALDH1A1KMT2ATLR4KDM4EMEN1
SCHEMBL8880070 0.88
SCHEMBL27310514 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNA
SCHEMBL20561968 0.82 ALDH1A1 (0.43) ALDH1A1KMT2ATLR4KDM4EMEN1
SCHEMBL19097520 0.81 TP53 (0.30)
SCHEMBL16086071 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTPPM1B
SCHEMBL16086070 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTPPM1B
SCHEMBL18025047 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTPPM1B
SCHEMBL2292291 0.79 SLC6A2 (0.37) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL11681662 0.76 ALDH1A1 (0.44) ALDH1A1KMT2ATLR4KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US claimed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP claimed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO claimed
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-18 US disclosed
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 US disclosed
EP-3337809-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
EP-3236752-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
WO-2017029289-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-23 WO disclosed
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
CN-101166756-A Pyrimidine derivatives and their use as p2y12 receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-04-23 CN disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 WO disclosed
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0161222-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1990-10-10 EP disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed
EP-0161222-A2 Heterocyclic mercaptocarboxylic-acid amides, imides and nitriles as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 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 (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-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES CBR3, HCRTR2, HCAR3 ALDH1A1 1144/4885KMT2A 2535/4885TLR4 332/4885
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP51A1, CBR3 ALDH1A1 2424/4885KMT2A 1094/4885TLR4 3642/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 ALDH1A1 1522/4885KMT2A 4021/4885TLR4 115/4885
US-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 ALDH1A1 1143/4885KMT2A 2550/4885TLR4 1861/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 ALDH1A1 2655/4885KMT2A 3358/4885TLR4 615/4885

“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.