SCHEMBL3209293

SCHEMBL3209293

CC(C)c1cccc(C(C)C)c1N=C1CCCc2cc3c(nc21)C(=Nc1c(C(C)C)cccc1C(C)C)CCC3

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 3/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL14804878 1.00 KDM4E (0.32) KDM4ECYP1A2CYP3A4HPGDTSHR
Hydrochloric Acid SCHEMBL3208211 0.97 TAAR1 (0.31) KDM4ECYP1A2CYP3A4HPGDTSHR
SCHEMBL3198438 0.81 MAPT (0.37) KDM4ECYP1A2CYP3A4HPGDALDH1A1
SCHEMBL3198441 0.81 MAPT (0.37) KDM4ECYP1A2CYP3A4HPGDALDH1A1
SCHEMBL13418972 0.81 MAPT (0.37) KDM4ECYP1A2CYP3A4HPGDALDH1A1
Hydrochloric Acid SCHEMBL3198202 0.78 MAPT (0.36) KDM4ELMNAMAPTHTTRAB9A
SCHEMBL4056848 0.78 GABRA1 (0.40) CYP1A2CYP3A4HPGDTSHRALDH1A1
SCHEMBL4056846 0.78 GABRA1 (0.40) CYP1A2CYP3A4HPGDTSHRALDH1A1
SCHEMBL12020994 0.78 MAPT (0.34) KDM4EALDH1A1MAPT
SCHEMBL5589488 0.76 GABRA1 (0.39) CYP1A2CYP3A4HPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773895-B1 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION DU PONT (US) 2011-12-28 EP disclosed
US-7683149-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2008-11-20 US disclosed
US-7442819-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-28 US disclosed
US-20060009597-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2006-01-12 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 (2 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-20060009597-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 KDM4E 3147/4885CYP1A2 992/4885CYP3A4 781/4885
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 KDM4E 3147/4885CYP1A2 992/4885CYP3A4 781/4885

“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.