SCHEMBL2305372

SCHEMBL2305372

COC(=O)c1ccc(OC)cc1C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 3/20 0.62
CYP3A4 P08684 1/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
NR4A2 P43354 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL2310701 0.93 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL382822 0.90 KDM4E (0.66) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL13094612 0.88 ALDH1A1 (0.71) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL18374571 0.86 KDM4E (0.57) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL5736385 0.85 KDM4E (0.60) ALDH1A1KDM4ECYP1A2CYP2C19CYP2D6
Water SCHEMBL31742419 0.84 KDM4E (0.55) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL9541390 0.84 KDM4E (0.58) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL3037245 0.83 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL22447135 0.82 XDH (0.51) ALDH1A1HPGDMAPK1KDM4ECYP1A2
SCHEMBL1956889 0.81 KDM4E (0.60) ALDH1A1KDM4ECYP1A2CYP2C19CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
EP-2348855-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION Burnham Institute for Medical Research (US) 2011-08-03 EP disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
WO-2010033643-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-25 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 ALDH1A1 454/4885HPGD 2231/4885CYP3A4 1973/4885

“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.