SCHEMBL12675702

SCHEMBL12675702

CCCCOc1c(-c2ccccc2)cccc1C(Nc1ccccc1OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.44
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
SGMS2 Q8NHU3 1/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A5 Q9Y345 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL12675704 0.88 ALDH1A1 (0.39) ALDH1A1KDM4ESGMS2MAPTHTT
SCHEMBL12646976 0.83 SMN1; SMN2 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12675962 0.82 KDM4E (0.39) ALDH1A1KDM4ESGMS2MAPTHTT
SCHEMBL12765681 0.80 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12646970 0.79 SMN1; SMN2 (0.44) ALDH1A1KDM4EMAPTHTTMAPK1
SCHEMBL1643441 0.79 P4HB (0.57) P4HBALDH1A1KDM4ESGMS2MAPT
SCHEMBL12646894 0.78 CTSA (0.42) KDM4ESLC6A5HTTMAPK1L3MBTL1
SCHEMBL7737507 0.78 SMN1; SMN2 (0.56) ALDH1A1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL12646892 0.75 PTPN1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12676023 0.74 PTPN1 (0.39) ALDH1A1KDM4EMAPTHTTMAPK1

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 3 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
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

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 1945/4885ALDH1A1 2448/4885KDM4E 3249/4885

“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.