SCHEMBL758159

SCHEMBL758159

COc1cccc(C)c1CBr.COc1cccc(C)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA4 P22748 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
SCHEMBL695730 0.91 CA1 (0.42) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL696242 0.91 TP53 (0.43) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL7802337 0.79 CA1 (0.50) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL505777 0.79 CA1 (0.50) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL8135903 0.79 PDE4A (0.41) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL14879898 0.74 MAPT (0.42) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL18978867 0.74 PDE4A (0.38) ALDH1A1CYP3A4PDCD1CD274CA1
SCHEMBL726216 0.74 KDM4E (0.46) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL5583332 0.72 PTPN1 (0.53) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL357603 0.72 GABRA1 (0.48) KDM4EALDH1A1HPGDHSD17B10PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E TP53 3604/4885KDM4E 2633/4885ALDH1A1 1857/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 TP53 1726/4885KDM4E 1410/4885ALDH1A1 447/4885

“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.