SCHEMBL1476812

SCHEMBL1476812

Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.52
CYP2C9 P11712 4/20 0.52
CYP1A2 P05177 3/20 0.52
CA2 P00918 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
TYR P14679 1/20 0.46
PTGS2 P35354 4/20 0.43
CA1 P00915 3/20 0.43
PTGS1 P23219 3/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALOX15 P16050 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
HIF1A Q16665 4/20 0.39
TP53 P04637 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
SCHEMBL31424079 1.00 CYP2C19 (0.52) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL26119692 0.84 CYP2C9 (0.54) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL13400274 0.84 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL392804 0.83 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL2244019 0.83 CYP2C19 (0.52) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL30448978 0.83 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL10707367 0.83 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL396132 0.82 CYP2C9 (0.45) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL11341071 0.82 CYP2C19 (0.56) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2
SCHEMBL30615138 0.81 SMN1; SMN2 (0.45) CYP2C19CYP2C9CYP1A2CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814688-B2 Markers for determining tumor hypoxia VIB VZW (BE) 2023-11-14 US disclosed
US-20220259677-A1 Markers for Determining Tumor Hypoxia VIB VZW (BE) 2022-08-18 US disclosed
EP-3265582-B1 MARKERS FOR DETERMINING TUMOR HYPOXIA VIB VZW (BE) 2021-07-28 EP disclosed
US-20180051345-A1 Markers for Determining Tumor Hypoxia VIB VZW (BE) 2018-02-22 US disclosed
EP-3265582-A1 MARKERS FOR DETERMINING TUMOR HYPOXIA VIB vzw (BE) 2018-01-10 EP disclosed
WO-2016142295-A1 MARKERS FOR DETERMINING TUMOR HYPOXIA VIB VZW (BE) 2016-09-15 WO disclosed
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 US disclosed
US-20120305148-A1 MALLEABLE SOLID EXPLOSIVE AND METHOD FOR OBTAINING IT EURENCO (FR) 2012-12-06 US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-20 US disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
EP-1280770-A1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES Bayer Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2001074770-A1 C2 PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2001-10-11 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed
EP-0407901-B1 PROCESS FOR THE FABRICATION OF POLYETHYLENE FIBRES BY THE HIGH SPEED SPINNING OF ULTRA-HIGH MOLECULAR WEIGHT POLYETHYLENE AKZO N.V. (NL) 1993-01-13 EP disclosed
US-5068073-A Method of manufacturing polyethylene fibers by high speed spinning of ultra-high-molecular-weight polyethylene AKZO N.V. (NL) 1991-11-26 US disclosed
EP-0407901-A2 Process for the fabrication of polyethylene fibres by the high speed spinning of ultra-high molecular weight polyethylene AKZO N.V. (NL) 1991-01-16 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 (2 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-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides PDHX, AKR1C3, AKR1A1 CYP2C19 352/4885CYP2C9 193/4885CYP1A2 81/4885
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 CYP2C19 355/4885CYP2C9 304/4885CYP1A2 67/4885

“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.