SCHEMBL1639378

SCHEMBL1639378

COc1ccccc1-c1cccc(C(C)c2cccc(C(C)(C)C)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.41
CASR P41180 1/20 0.41
CTSA P10619 3/20 0.40
HTR7 P34969 4/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
ERN1 O75460 1/20 0.38
CA2 P00918 1/20 0.36
PDK2 Q15119 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36

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 0.92 PTPN5 (0.46) PTPN5CASRCTSAHTR7CA2
SCHEMBL1639184 0.87 CTSA (0.41) PTPN5CASRCTSAHTR7PTPRC
SCHEMBL1637640 0.85 CTSA (0.45) PTPN5CASRCTSAHTR7PTPRC
SCHEMBL1638764 0.80 PDE4B (0.43) PTPN5CASRCTSA
SCHEMBL767723 0.77 CA2 (0.53) CA2
SCHEMBL1642837 0.76 PDE4B (0.44) PTPN5CA2
SCHEMBL1638882 0.75 CTSL (0.41) ERN1CA2
SCHEMBL12646926 0.74 AKR1C3 (0.44) CA2
SCHEMBL13913537 0.74 HDAC4 (0.57) PTPN5CASRCTSAHTR7PTPRC
SCHEMBL29430223 0.73 CASR (0.50) PTPN5CASRCTSAHTR7PTPRC

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 4116/4885CASR 4376/4885CTSA 3480/4885

“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.