SCHEMBL814019

SCHEMBL814019

Cc1cccc(C)c1NCCNCCNc1c(C)cccc1C.[Mn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HTT P42858 2/20 0.46
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM2 P08172 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2A6 P11509 1/20 0.35
LMNA P02545 3/20 0.34
SCN3A Q9NY46 2/20 0.34

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
SCHEMBL814598 0.98 MAPT (0.48) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL816147 0.95 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814427 0.95 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814335 0.95 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814657 0.95 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL814366 0.93 MAPT (0.45) MAPTHTTHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL812929 0.93 MAPT (0.45) MAPTHTTHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL812769 0.93 MAPT (0.45) MAPTHTTHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL813843 0.93 MAPT (0.45) MAPTHTTHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL814911 0.93 MAPT (0.45) MAPTHTTHTR1AADRA1DADRA1A

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 2677/4885HTR1A 3920/4885

“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.