SCHEMBL3240446

SCHEMBL3240446

COc1cc2c(cc1OC(C)C)C=NCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
ALDH1A1 P00352 4/20 0.40
MAOA P21397 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
ALK Q9UM73 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CYP3A4 P08684 2/20 0.36
SLC18A2 Q05940 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL3240735 1.00 ACHE (0.46) ACHEALDH1A1MAOAKDM4EGLA
SCHEMBL17144907 0.89 MAOA (0.47) ALDH1A1MAOAKDM4EGLAMAPT
SCHEMBL31268130 0.89 MAOA (0.47) ALDH1A1MAOAKDM4EGLAMAPT
SCHEMBL251439 0.89 MAOA (0.47) ALDH1A1MAOAKDM4EGLAMAPT
Hydrochloric Acid SCHEMBL4772044 0.87 MAOA (0.46) ALDH1A1MAOAKDM4EGLAMAPT
Hydrochloric Acid SCHEMBL5006407 0.85 MAOA (0.45) ALDH1A1MAOAKDM4EGLAMAPT
SCHEMBL28145978 0.82 TLR8 (0.32) ACHEALKHTR2AHTR2CHTR2B
SCHEMBL2755535 0.81 MAOA (0.41) ALDH1A1MAOAKDM4EGLAMAPT
SCHEMBL18396959 0.79 KDM4E (0.45) ACHEALDH1A1MAOAKDM4EGLA
SCHEMBL28933503 0.79 PDE4D (0.44) ACHEALDH1A1MAOAKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551844-B1 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR SAU (ES) 2010-07-28 EP disclosed
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
US-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
US-20060173030-A1 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2006-08-03 US disclosed
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 WO 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-20060173030-A1 Antitumoral analogs of lamellarins PLIN3, LPAR3, LPAR2 ACHE 3752/4885ALDH1A1 4755/4885MAOA 4359/4885

“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.