SCHEMBL1638764

SCHEMBL1638764

COc1ccccc1C(C)c1cccc(-c2cccc(-c3ccccc3)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
CTSA P10619 3/20 0.42
ACLY P53396 1/20 0.41
BACE1 P56817 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
PRSS3 P35030 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CASR P41180 1/20 0.40
BCHE P06276 1/20 0.40
TYR P14679 1/20 0.40
ACHE P22303 1/20 0.40
HK2 P52789 1/20 0.40

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
SCHEMBL1637640 0.92 CTSA (0.45) PDE4BCTSAACLYCASRPTPN5
SCHEMBL1639068 0.86 PTPN5 (0.46) PDE4BCTSAACLYPDE4APDE4C
SCHEMBL12646977 0.84 PDE4B (0.45) PDE4BACLYBACE1F10PLAU
SCHEMBL1639378 0.80 PTPN5 (0.41) CTSACASRPTPN5
SCHEMBL1639130 0.79 PDE4B (0.42) PDE4BACLYPDE4APDE4CPDE4D
SCHEMBL12646926 0.77 AKR1C3 (0.44) BCHETYRACHEIDO1TDO2
Biphenyl SCHEMBL6151323 0.76 IDO1 (0.50) TYRACHEIDO1TDO2CYP2D6
SCHEMBL7725113 0.76 KDM4E (0.57) PDE4BACLYBACE1PDE4APDE4C
SCHEMBL29941297 0.76 KDM4E (0.57) PDE4BACLYBACE1PDE4APDE4C
SCHEMBL5941442 0.75 IDO1 (0.56) TYRACHEIDO1TDO2

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 PDE4B 4472/4885CTSA 3480/4885ACLY 1639/4885

“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.