SCHEMBL7069958

SCHEMBL7069958

CCOC(=O)c1cnc2cc(C)cc(C)c2c1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27659692 0.81 L3MBTL1 (0.44) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL439424 0.80 NPC1 (0.45) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL28020083 0.77 CYP3A4 (0.45) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL7069493 0.76 PSMB5 (0.33) ALDH1A1KDM4EHPGD
SCHEMBL7070419 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL7066761 0.73 MAPT (0.58) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL7065933 0.69 MAPT (0.53) MEN1KMT2AMAPTTP53MAPK1
SCHEMBL620385 0.68 NMT1 (0.53) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL618676 0.68 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL620981 0.68 NMT1 (0.53) ALDH1A1MEN1KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA ALDH1A1 822/4885MEN1 4618/4885KMT2A 2329/4885

“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.