SCHEMBL5718213

SCHEMBL5718213

Cc1sc2c(c1-c1ccccc1)CC(C(C)C)=C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHEK1 O14757 1/20 0.30
AKT2 P31751 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
SCHEMBL6018652 0.84 ALDH1A1 (0.36) ALDH1A1HPGDMAPTTDP1KDM4E
SCHEMBL3290015 0.81 ALDH1A1 (0.36) ALDH1A1HPGDMAPTTDP1KDM4E
SCHEMBL5718140 0.77 MAPK1 (0.35) ALDH1A1HPGDMAPTTDP1KDM4E
SCHEMBL6018836 0.67 PTGS2 (0.39) ALDH1A1HPGDMAPTTDP1LMNA
SCHEMBL8092992 0.66 TDP1 (0.31) ALDH1A1TDP1KDM4E
SCHEMBL6018662 0.66 PTGS2 (0.40) ALDH1A1MAPTKDM4ELMNA
SCHEMBL13337266 0.66 AKT2 (0.46) ALDH1A1HPGDMAPTTDP1KDM4E
SCHEMBL6018296 0.65 MAPK1 (0.37) ALDH1A1HPGDMAPTTDP1KDM4E
SCHEMBL5718215 0.64 ALDH1A1 (0.34) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7616904 0.64 PRCP (0.35)

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
US-7141637-B2 Metallocene compounds and process for the preparation of propylene polymers BASELL POLYOLEFINE GMBH (DE) 2006-11-28 US disclosed
EP-1448578-B1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
US-20050010058-A1 Such as {Dimethyl-silyl-(5-isopropyl-2-methyl-3-phenyl-cyclopento[2,3-b]thiophen-6-yl)-(2-methyl-4-phenyl-[3a,4-dihydro]azulen-1-yl)}ZrCl2 catalyst for homo or copolymerization of propylene EXXONMOBIL CHEMICAL PATENTS INC. 2005-01-13 US disclosed
EP-1448578-A1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS Basell Polyolefine GmbH (DE) 2004-08-25 EP disclosed
WO-2003045964-A1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2003-06-05 WO 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-20050010058-A1 Such as {Dimethyl-silyl-(5-isopropyl-2-methyl-3-phenyl-cyclopento[2,3-b]thiophen-6-yl)-(2-methyl-4-phenyl-[3a,4-dihydro]azulen-1-yl)}ZrCl2 catalyst for homo or copolymerization of propylene CHRM1, YWHAZ, PYM1 ALDH1A1 2017/4885HPGD 1848/4885MAPT 4468/4885

“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.