SCHEMBL2301218

SCHEMBL2301218

CCOC(=O)C=C(c1ccccc1)c1ccc2cc[nH]c2c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ KEAP1 Q14145 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ PLIN1 O60240 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PLIN5 Q00G26 1/20 0.32
▸ ABHD5 Q8WTS1 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32

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
SCHEMBL14014132 1.00 MAPT (0.36) MAPTKEAP1MEN1KMT2AKDM4E
SCHEMBL2302396 1.00 MAPT (0.36) MAPTKEAP1MEN1KMT2AKDM4E
SCHEMBL12427604 0.84 KEAP1 (0.49) MAPTKEAP1MEN1KMT2AKDM4E
SCHEMBL2304394 0.83 CDC25B (0.40) MAPTMEN1KMT2AKDM4EATM
SCHEMBL2304392 0.83 CDC25B (0.40) MAPTMEN1KMT2AKDM4EATM
SCHEMBL2300206 0.82 KEAP1 (0.35) MAPTKEAP1KDM4ECYP1A1CYP1B1
SCHEMBL2300204 0.82 KEAP1 (0.35) MAPTKEAP1KDM4ECYP1A1CYP1B1
SCHEMBL2302757 0.80 BRD4 (0.37) MAPTMEN1KMT2AKDM4EATM
SCHEMBL2302756 0.80 BRD4 (0.37) MAPTMEN1KMT2AKDM4EATM
SCHEMBL12427128 0.79 CTNNB1 (0.39) MAPTMEN1KMT2APTGS2BCHE

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
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 — — EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 — — US disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 — — US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 — — US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 — — US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 — — EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — 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 (2 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR MAPT 3825/4885KEAP1 3292/4885MEN1 2532/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR MAPT 3825/4885KEAP1 3292/4885MEN1 2532/4885

“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.

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