SCHEMBL538824

SCHEMBL538824

CCN(CC)c1ccc(C)c(N)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.71
ALDH1A1 P00352 11/20 0.54
L3MBTL1 Q9Y468 6/20 0.54
CYP3A4 P08684 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 3/20 0.54
PSMD14 O00487 1/20 0.54
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
GFER P55789 1/20 0.54
TERT O14746 1/20 0.47
CASP1 P29466 2/20 0.46
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 2/20 0.44
HIF1A Q16665 2/20 0.44
IGLV6-57 P01721 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 5/20 0.42

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
Hydrochloric Acid SCHEMBL28014076 0.98 S100B (0.69) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL27881647 0.86 S100B (0.54) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL27303089 0.86 S100B (0.54) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL3288762 0.84 S100B (0.52) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL34104 0.83 S100B (1.00) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL29350181 0.83 S100B (1.00) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL27537517 0.83 S100B (0.51) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL28245671 0.83 S100B (0.51) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL6753912 0.83 S100B (0.51) S100BALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL11431090 0.83 S100B (0.70) S100BALDH1A1L3MBTL1CYP3A4TDP1

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 413 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112126194-A Preparation method of toughened and modified epoxy resin composite material 江南大学 2020-12-25 CN claimed
US-9340487-B2 Halogenated diethyltoluenediamines LONZA LTD. (CH) 2016-05-17 US claimed
EP-2627626-B1 HALOGENATED DIETHYLTOLUENEDIAMINES LONZA AG (CH) 2014-05-14 EP claimed
EP-2627626-A1 HALOGENATED DIETHYLTOLUENEDIAMINES Lonza Ltd (CH) 2013-08-21 EP claimed
US-20130211142-A1 HALOGENATED DIETHYLTOLUENEDIAMINES LONZA LTD. (CH) 2013-08-15 US claimed
WO-2012048845-A1 HALOGENATED DIETHYLTOLUENEDIAMINES LONZA LTD (CH) 2012-04-19 WO claimed
EP-0394487-B2 ELASTIC POLYURETHANE FOAM AND PROCESS FOR ITS PRODUCTION ASAHI GLASS CO LTD (JP) 2005-02-16 EP claimed
EP-0506366-B1 High performance curable PPO/monomeric epoxy compositions with tin metal salt compatibilizing agent GEN ELECTRIC (US) 1997-12-29 EP claimed
EP-0499206-B1 Polyamine compositions containing secondary amine functions NIPPON PAINT CO LTD (JP) 1997-07-02 EP claimed
EP-0587633-B1 PROCESS FOR INSULATING PIPES BAYER AG (DE) 1995-12-20 EP claimed
US-5470515-A Rotational molding process for insulating pipes BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US claimed
EP-0499206-A2 Polyamine compositions containing secondary amine functions NIPPON PAINT CO., LTD. (JP) 1992-08-19 EP claimed
JP-5331415-A None JP disclosed
JP-6298896-A None JP disclosed
JP-7126520-A None JP disclosed
JP-7292237-A None JP disclosed
US-RE32677-E HYDROLYSIS OF ISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 1988-05-24 US disclosed
US-4717738-A HIGH RIGIDITY, MECHANICAL STRENGTH, HEAT RESISTANCE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1988-01-05 US disclosed
US-4542165-A REACTION INJECTION MOLDING, RIGIDITY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1985-09-17 US disclosed
US-4540720-A CARBAMYLATION AND HYDROLYSIS OF ISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 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-20130211142-A1 HALOGENATED DIETHYLTOLUENEDIAMINES RAD50, RER1, UBE2G2 S100B 4396/4885ALDH1A1 238/4885L3MBTL1 1356/4885

“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.