SCHEMBL6080550

SCHEMBL6080550

COC(=O)c1cc(O)c2cc(-c3ccc(OC)cc3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
PTPN1 P18031 2/20 0.44
MAPK1 P28482 2/20 0.44
NOD2 Q9HC29 1/20 0.44
MCL1 Q07820 3/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PPARD Q03181 1/20 0.43
DHODH Q02127 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL6592298 0.92 MCL1 (0.53) MAPTNPSR1CTSLCTSBPTPN1
SCHEMBL6080319 0.90 CNR1 (0.46) MAPTPTPN1MCL1LMNAHPGD
SCHEMBL6079735 0.87 NOTUM (0.46) PTPN1MCL1LMNAHPGDDHODH
SCHEMBL6081276 0.85 LMNA (0.42) MAPTPTPN1MCL1LMNAHPGD
SCHEMBL6080862 0.85 L3MBTL1 (0.44) MAPTMAPK1MCL1LMNAHPGD
SCHEMBL6080624 0.85 CYP11B1 (0.48) MAPTPTPN1LMNAHPGD
SCHEMBL6079995 0.83 HPGD (0.44) MAPTLMNAHPGDPPARDKDM4E
SCHEMBL6080125 0.83 LMNA (0.47) MAPTLMNAHPGDALDH1A1MAOB
SCHEMBL6080510 0.83 LMNA (0.47) MAPTLMNAHPGDALDH1A1CYP1A2
SCHEMBL6081303 0.82 DHODH (0.43) MAPK1HPGDDHODHKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MAPT 1575/4885NPSR1 2960/4885CTSL 3040/4885

“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.