Sugi Predict

Sugi Predict / Compounds / SCHEMBL1639166

SCHEMBL1639166

SCHEMBL1639166

CC(C)(C)c1cccc(C(c2ccccc2)c2cccc(-c3ccccn3)c2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ IDH1 O75874 5/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ KAT6A Q92794 1/20 0.34
▸ HPGDS O60760 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ SLC6A2 P23975 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
SCHEMBL1638882 0.87 CTSL (0.41) CTSLCTSKCYP3A4CYP2C9CYP2C19
SCHEMBL1637548 0.83 CTSL (0.41) CTSLCTSKKAT6ACTSBCTSS
SCHEMBL1639184 0.76 CTSA (0.41) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL1636835 0.73 FFAR1 (0.41) CTSLCTSKTSHRKAT6ACTSB
SCHEMBL21529184 0.73 SLC6A3 (0.66) CTSLCTSKCYP3A4CYP2C9CYP1A2
SCHEMBL12646948 0.71 CYP1A2 (0.44) CTSLCTSKCYP2C9CYP2C19CYP1A2
SCHEMBL9158343 0.71 CA2 (0.53) CYP2C9CYP2C19CYP1A2CA2IDH1
SCHEMBL1759066 0.71 HRH3 (0.42) CTSLTSHRCA2CTSBCTSS
SCHEMBL9261215 0.69 CTSK (0.50) CTSLCTSKCYP1A2CTSS
SCHEMBL1642694 0.69 PDE4B (0.42) CYP3A4CYP2C9CYP2C19CYP1A2TSHR

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 CTSL 3353/4885CTSK 2816/4885CYP3A4 812/4885

“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.