SCHEMBL1637640

SCHEMBL1637640

COc1ccccc1-c1cccc(C(C)c2cccc(-c3ccccc3)c2O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.45
CASR P41180 1/20 0.44
HTR7 P34969 3/20 0.42
PDE4B Q07343 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 2/20 0.41
ERN1 O75460 1/20 0.41
ACLY P53396 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
KAT6A Q92794 1/20 0.39

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
SCHEMBL1638764 0.92 PDE4B (0.43) CTSACASRPDE4BPTPN5ACLY
SCHEMBL1639378 0.85 PTPN5 (0.41) CTSACASRHTR7PTPRCPTPN1
SCHEMBL12646977 0.85 PDE4B (0.45) PDE4BACLY
SCHEMBL12646926 0.84 AKR1C3 (0.44) AKR1C3AKR1C2
SCHEMBL1639068 0.81 PTPN5 (0.46) CTSACASRHTR7PDE4BPTPN5
SCHEMBL1639130 0.80 PDE4B (0.42) PDE4BACLY
SCHEMBL13913537 0.77 HDAC4 (0.57) CTSACASRHTR7PTPRCPTPN1
SCHEMBL29430223 0.76 CASR (0.50) CTSACASRHTR7PTPRCPTPN1
SCHEMBL31689002 0.76 AKR1C3 (0.65) CTSAAKR1C3AKR1C2
SCHEMBL3670700 0.76 AKR1C3 (0.65) CTSAAKR1C3AKR1C2

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 CTSA 3480/4885CASR 4376/4885HTR7 3223/4885

“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.