SCHEMBL5866593

SCHEMBL5866593

Cc1cc(N)ccc1OCC(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
GAA P10253 3/20 0.71
TLR8 Q9NR97 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
SCN4A P35499 5/20 0.42
MAPT P10636 5/20 0.41
THRB P10828 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL11707859 0.86 ALDH1A1 (0.53) ALDH1A1GAASCN4AKDM4EPDE10A
SCHEMBL9570228 0.85 ALDH1A1 (0.96) ALDH1A1GAATLR8NOS3NOS1
SCHEMBL8134520 0.83 ALDH1A1 (0.73) ALDH1A1GAATLR8NOS3NOS1
SCHEMBL672986 0.82 ALDH1A1 (0.49) ALDH1A1GAASCN4AMAPTKDM4E
SCHEMBL3032643 0.81 ALDH1A1 (0.54) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL20496733 0.80 ALDH1A1 (0.50) ALDH1A1GAAMAPTTHRBKDM4E
SCHEMBL20496732 0.80 ALDH1A1 (0.53) ALDH1A1GAAMAPTTHRBKDM4E
SCHEMBL3506920 0.80 ALDH1A1 (0.51) ALDH1A1GAASCN4AMAPTKDM4E
SCHEMBL10187288 0.80 ALDH1A1 (0.80) ALDH1A1GAATLR8MAPTKDM4E
SCHEMBL17366264 0.80 ALDH1A1 (0.69) ALDH1A1GAATLR8MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109338-B2 For use in the prophylaxis and the treatment of Picornavirus and human rotavirus infections. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-15 US disclosed
EP-1380575-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2004-01-14 EP disclosed
US-6541470-B1 Have a potent antiviral activity against picornaviruses and rotaviruses. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-01 US disclosed
EP-1081138-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2001-03-07 EP 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-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MAVS, IRF3, EIF2AK2 ALDH1A1 1671/4885GAA 943/4885TLR8 1036/4885

“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.