SCHEMBL1363417

SCHEMBL1363417

CCOC(=O)c1cccc(C(=O)C2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
GALR1 P47211 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3936871 0.93 RAB9A (0.51) ALDH1A1KDM4EATMCYP4F2CYP4A11
SCHEMBL11900945 0.83 POLB (0.58) ALDH1A1ALOX15MAPK1MAPTPOLB
SCHEMBL6566141 0.83 ALDH1A1 (0.53) ALDH1A1ALOX15MAPK1MAPTHTT
SCHEMBL26144963 0.82 PDE4B (0.50) ALDH1A1KDM4EPOLBCYP4F2CYP4A11
SCHEMBL110276 0.81 CYP4F2 (0.65) ALDH1A1KDM4ECYP4F2CYP4A11RAB9A
SCHEMBL931352 0.81 MAOA (0.54) ALDH1A1ALOX15MAPK1ATMCYP4F2
SCHEMBL930417 0.81 MAOA (0.54) ALDH1A1ALOX15MAPK1ATMCYP4F2
SCHEMBL2250288 0.80 RAB9A (0.57) ALDH1A1MAPTPOLBHTTHPGD
SCHEMBL1641800 0.80 ALDH1A1 (0.79) ALDH1A1MAPK1MAPTPOLBHTT
SCHEMBL1790402 0.80 KMO (0.61) ALDH1A1ALOX15MAPK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
EP-2245016-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 ALDH1A1 735/4885ALOX15 2457/4885MAPK1 4765/4885

“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.