SCHEMBL1641601

SCHEMBL1641601

COc1ccccc1C(C)Nc1cccc(-c2ccccc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACLY P53396 1/20 0.41
FABP4 P15090 2/20 0.41
FABP3 P05413 1/20 0.41
FABP5 Q01469 1/20 0.41
LPAR1 Q92633 1/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HIF1A Q16665 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 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
SCHEMBL1643425 0.91 LPAR1 (0.43) CYP2D6CYP2C19ACLYFABP4FABP3
SCHEMBL12646977 0.79 PDE4B (0.45) CYP2D6CYP2C19ACLYMAPTHTT
SCHEMBL1643441 0.78 P4HB (0.57) CYP2D6CYP2C19ACLYFABP4FABP3
SCHEMBL12727689 0.78 SGMS2 (0.48) CYP2D6CYP2C19MEN1KMT2AALDH1A1
SCHEMBL16429614 0.78 HNF4A (0.44) CYP2D6CYP2C19FABP4FABP3FABP5
SCHEMBL12675962 0.77 KDM4E (0.39) MAPTHTTALDH1A1KDM4EGAA
SCHEMBL29941297 0.76 KDM4E (0.57) ACLYMAPTMEN1KMT2AALDH1A1
SCHEMBL7725113 0.76 KDM4E (0.57) ACLYMAPTMEN1KMT2AALDH1A1
SCHEMBL1641884 0.74 SGMS2 (0.53) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL5595331 0.74 POLB (0.56) LPAR1MAPTHTTMEN1KMT2A

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-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
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
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
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 CYP2D6 1856/4885CYP2C19 3345/4885ACLY 251/4885

“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.