SCHEMBL687396

SCHEMBL687396

[C]1Cc2c(ccc3ccccc23)CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ANPEP P15144 1/20 0.37
LMNA P02545 1/20 0.36
HPRT1 P00492 1/20 0.35
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1938502 0.73 LMNA (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL582333 0.70 HSD17B10 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL687395 0.69 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL123650 0.69 CD44 (0.49) LMNAKDM4E
SCHEMBL2535555 0.68 ANPEP (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29811500 0.68 ANPEP (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31274510 0.68 ANPEP (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL37705 0.68 PNMT (0.39) HSD17B10
Ammonia Solution, Strong SCHEMBL7354925 0.66 ANPEP (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL54652 0.66 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242471-B1 SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-29 EP claimed
US-6515155-B1 Group 4 metal complexes of the constrained geometry type, catalysts derived therefrom and polymerization processes using the same, characterized by a nitrogen containing aliphatic or cycloaliphatic moiety that is substituted with one or more DOW GLOBAL TECHNOLOGIES INC. 2003-02-04 US claimed
US-20030004286-A1 Alkaryl-substituted Group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES LLC 2003-01-02 US claimed
US-20020165329-A1 Heat-resistant group 4 metal metallecenes having a nitrogen with aliphatic or cycloaliphatic moiety substituted with aryl group(s)and a silane bridge; high-molecular weight ethylene-alpha olefin copolymers; high concentration of comonomer KLOSIN JERZY (US) 2002-11-07 US claimed
EP-1253158-A1 Substituted group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2002-10-30 EP claimed
EP-1242471-B1 SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-29 EP disclosed
US-6825295-B2 COORDINATION POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES INC. 2004-11-30 US disclosed
US-6515155-B1 Group 4 metal complexes of the constrained geometry type, catalysts derived therefrom and polymerization processes using the same, characterized by a nitrogen containing aliphatic or cycloaliphatic moiety that is substituted with one or more DOW GLOBAL TECHNOLOGIES INC. 2003-02-04 US disclosed
US-20030004286-A1 Alkaryl-substituted Group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES LLC 2003-01-02 US disclosed
US-20020165329-A1 Heat-resistant group 4 metal metallecenes having a nitrogen with aliphatic or cycloaliphatic moiety substituted with aryl group(s)and a silane bridge; high-molecular weight ethylene-alpha olefin copolymers; high concentration of comonomer KLOSIN JERZY (US) 2002-11-07 US disclosed
EP-1253158-A1 Substituted group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2002-10-30 EP 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-20020165329-A1 Heat-resistant group 4 metal metallecenes having a nitrogen with aliphatic or cycloaliphatic moiety substituted with aryl group(s)and a silane bridge; high-molecular weight ethylene-alpha olefin copolymers; high concentration of comonomer B2M, WEE2, WASF2 ALDH1A1 2123/4885HSD17B10 894/4885CYP2A6 1018/4885

“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.