Sugi Predict

Sugi Predict / Compounds / SCHEMBL1644446

SCHEMBL1644446

SCHEMBL1644446

COc1c(/C=N/c2c(C(C)C)cccc2C(C)C)cccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.38
▸ MAPT P10636 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL1644449 1.00 G6PD (0.38) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL18489497 0.82 HPGD (0.41) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL23644530 0.82 HPGD (0.41) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL617346 0.78 PDE4B (0.43) MAPTHPGDLMNAALDH1A1HTT
SCHEMBL18489523 0.77 ALOX12 (0.39) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL23644545 0.77 ALOX12 (0.39) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL18489498 0.72 MAPT (0.47) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL23039619 0.72 MAPT (0.46) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL23039620 0.72 MAPT (0.46) G6PDMAPTHPGDKDM4ELMNA
SCHEMBL14318856 0.71 ALDH1A1 (0.38) MAPTHPGDKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 — — US disclosed
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 — — US disclosed
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 — — US disclosed
WO-2011056428-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 — — WO disclosed
US-20110098425-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 — — US disclosed
US-20110098425-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 — — US disclosed
US-20110098425-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-20110098425-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 G6PD 4390/4885MAPT 978/4885HPGD 835/4885

“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.