SCHEMBL6079986

SCHEMBL6079986

COC(=O)c1cc(O)c2cccc(CCc3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.43
PLA2G2A P14555 3/20 0.42
DAGLA Q9Y4D2 1/20 0.42
PLAUR Q03405 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER4 P35408 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6080124 0.86 PLAUR (0.45) PLAURTDP1HPGDALDH1A1HSD17B10
SCHEMBL6080007 0.86 KDM4E (0.45) HSP90AA1PLA2G2ADAGLATDP1L3MBTL1
SCHEMBL6081011 0.83 PTGER4 (0.39) PTGER4HPGDALDH1A1TP53CYP1A2
SCHEMBL6080238 0.80 PLA2G2A (0.42) PLA2G2ADAGLAPTGER4HPGDALDH1A1
SCHEMBL6079823 0.80 LMNA (0.50) HPGDALDH1A1HSD17B10LMNA
SCHEMBL6080649 0.80 ALOX5 (0.47) PLA2G2ADAGLAALDH1A1MMP2KDM4E
SCHEMBL6080074 0.80 CD38 (0.47) PTGER4HPGDALDH1A1KDM4E
SCHEMBL6079273 0.80 ALDH1A1 (0.42) PLA2G2ADAGLATDP1L3MBTL1PTGER4
SCHEMBL6079742 0.78 HSP90AA1 (0.43) HSP90AA1PLA2G2ADAGLATDP1L3MBTL1
SCHEMBL6080778 0.78 EGFR (0.46) PTGER4HPGDALDH1A1TP53CYP3A4

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
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 HSP90AA1 3647/4885PLA2G2A 1773/4885DAGLA 4505/4885

“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.