SCHEMBL4338158

SCHEMBL4338158

C#CC(C)(C)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC(C)(C)C#C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP2C19 P33261 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 7/20 0.47
CYP1A1 P04798 6/20 0.47
CYP1B1 Q16678 6/20 0.47
CYP19A1 P11511 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
PDE5A O76074 1/20 0.47
ABCB1 P08183 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2B6 P20813 1/20 0.47
TACR2 P21452 1/20 0.47

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
SCHEMBL4336089 0.80 CYP3A4 (0.53) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL4649487 0.75 CYP3A4 (0.76) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL133421 0.75 MAOA (0.57) CYP3A4ALDH1A1HPGDMAPTKDM4E
SCHEMBL15668077 0.74 CYP3A4 (0.57) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL30343626 0.74 CYP3A4 (0.57) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL6617327 0.71 MAPT (0.60) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL30233473 0.71 MAPT (0.60) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL21683096 0.71 CYP3A4 (0.54) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL15668055 0.71 CYP3A4 (0.60) CYP3A4CYP2C19ALDH1A1HPGDMAPT
SCHEMBL19097304 0.69 ALDH1A1 (0.68) CYP3A4CYP2C19ALDH1A1HPGDMAPT

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-7592143-B2 Methods of treating diseases responsive to induction of apoptosis and screening assays CYTOVIA, INC. (US) 2009-09-22 US disclosed
EP-1620564-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2008-03-12 EP disclosed
EP-1620564-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-02-01 EP disclosed
US-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays CYTOVIA, INC. 2005-01-06 US disclosed
WO-2004094647-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. (US) 2004-11-04 WO 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-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays HEATR6, HEATR1, AIP CYP3A4 4498/4885CYP2C19 4760/4885ALDH1A1 4817/4885

“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.