SCHEMBL1638104

SCHEMBL1638104

CC(c1cccc(-c2cccc(C(C)(C)C)c2O)c1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.46
IDH1 O75874 7/20 0.45
CA2 P00918 1/20 0.37
BRD4 O60885 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
USP7 Q93009 1/20 0.34
CXCR4 P61073 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH1 P35367 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1639068 0.76 PTPN5 (0.46) PTPN5CA2BRD4
SCHEMBL1638882 0.76 CTSL (0.41) IDH1CA2GABRA1GABRB2CYP1A2
SCHEMBL12128896 0.74 CA2 (0.61) PTPN5CA2GABRA1GABRB2PTPN1
SCHEMBL1642781 0.73 CA2 (0.41) PTPN5IDH1CA2GABRA1GABRB2
SCHEMBL1637966 0.71 CHRM2 (0.39) PTPN5BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL1758958 0.71 PTPN5 (0.48) PTPN5CA2ALDH1A1CYP1A2
SCHEMBL2914433 0.71 CA2 (0.61) PTPN5CA2GABRA1GABRB2PTPN1
SCHEMBL30288300 0.71 CA2 (0.61) PTPN5CA2GABRA1GABRB2PTPN1
SCHEMBL1639378 0.71 PTPN5 (0.41) PTPN5CA2PTPN1
SCHEMBL1638313 0.70 LMNA (0.39) IDH1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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 (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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 PTPN5 4116/4885IDH1 2258/4885CA2 2907/4885

“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.