SCHEMBL813651

SCHEMBL813651

Cc1cccc(C)c1NCCN(C)CCNc1c(C)cccc1C.[Mn]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
MC4R P32245 1/20 0.35
SCN4A P35499 1/20 0.35
MC3R P41968 1/20 0.35
HTR3A P46098 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN3A Q9NY46 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
GAA P10253 1/20 0.34
BLM P54132 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL813393 0.98 MAPT (0.39) MAPTHTTLMNAALDH1A1CYP3A4
SCHEMBL815855 0.96 MAPT (0.38) MAPTHTTLMNAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL814976 0.96 MAPT (0.38) MAPTHTTLMNAALDH1A1CYP3A4
SCHEMBL811896 0.96 MAPT (0.38) MAPTHTTLMNAALDH1A1CYP3A4
SCHEMBL812491 0.96 MAPT (0.38) MAPTHTTLMNAALDH1A1CYP3A4
SCHEMBL813365 0.96 MAPT (0.38) MAPTHTTLMNAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL814712 0.94 MAPT (0.36) MAPTHTTLMNAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL813716 0.94 MAPT (0.36) MAPTHTTLMNAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL814370 0.94 MAPT (0.36) MAPTHTTLMNAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL813022 0.94 MAPT (0.36) MAPTHTTLMNAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US claimed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX MAPT 1902/4885HTT 2677/4885LMNA 25/4885

“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.