SCHEMBL1643441

SCHEMBL1643441

COc1ccccc1NC(c1ccccc1)c1cccc(-c2ccccc2)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.57
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HTT P42858 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
ACLY P53396 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
LPAR1 Q92633 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL1643425 0.85 LPAR1 (0.43) P4HBMAPTALDH1A1HTTKDM4E
SCHEMBL12675702 0.79 P4HB (0.44) P4HBMAPTALDH1A1HTTKDM4E
SCHEMBL1639130 0.79 PDE4B (0.42) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL1641601 0.78 CYP2D6 (0.44) MAPTALDH1A1HTTKDM4ELMNA
SCHEMBL18825606 0.78 MAPT (0.65) P4HBMAPTALDH1A1HTTKDM4E
SCHEMBL12646977 0.76 PDE4B (0.45) MAPTALDH1A1HTTKDM4ELMNA
SCHEMBL1637640 0.73 CTSA (0.45) ACLY
SCHEMBL11955283 0.73 P4HB (1.00) P4HBMAPTALDH1A1HTTKDM4E
SCHEMBL1638764 0.73 PDE4B (0.43) ACLYCYP2D6CYP2C19
SCHEMBL7725113 0.73 KDM4E (0.57) MAPTALDH1A1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530593-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
US-8530593-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
WO-2011056432-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
WO-2011056432-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098431-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098431-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-20110098431-A1 Catalyst Compounds and Use Thereof PAM, AAAS, PAOX P4HB 1945/4885MAPT 118/4885ALDH1A1 2448/4885

“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.