SCHEMBL4456263

SCHEMBL4456263

c1c[nH]c(N2CCNCCNCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PLD1 Q13393 2/20 0.43
ADRB2 P07550 2/20 0.42
NCF1 P14598 2/20 0.42
HTR3A P46098 1/20 0.42
HTR2C P28335 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL3096843 0.98 KDM4E (0.48) KDM4EALDH1A1PLD1ADRB2NCF1
SCHEMBL1271673 0.86 KDM4E (0.41) KDM4EALDH1A1PLD1ADRB2NCF1
SCHEMBL300491 0.81 ALOX15 (0.41) KDM4EALDH1A1
SCHEMBL311710 0.79 BCHE (0.42) ALDH1A1HRH3
Hydrochloric Acid SCHEMBL9200760 0.79 ALOX15 (0.39) KDM4EALDH1A1HTR2CHTR2A
Hydrochloric Acid SCHEMBL29375122 0.78 BCHE (0.41) KDM4EALDH1A1HRH3
SCHEMBL6840293 0.76 NPC1 (0.41) HTR3AHRH3HTR6
SCHEMBL6904489 0.76 TP53 (0.45) KDM4E
SCHEMBL21047581 0.74 HIPK2 (0.42) ALDH1A1
SCHEMBL5891722 0.73 HIPK2 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334227-B2 Carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2016-05-10 US disclosed
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2009-06-25 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-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds CBR3, ETFA, ACOX3 KDM4E 1132/4885ALDH1A1 454/4885PLD1 2662/4885

“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.