SCHEMBL6079883

SCHEMBL6079883

COC(=O)c1cc(OCc2ccccc2)c2cc(C#CCOCc3ccccc3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP13 P45452 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 2/20 0.35
PPIA P62937 1/20 0.35
PTGER4 P35408 1/20 0.35
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SRD5A1 P18405 1/20 0.35

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
SCHEMBL6080047 0.91 MMP2 (0.41) MMP2MMP12ALDH1A1SMN1; SMN2LMNA
SCHEMBL6595349 0.90 MMP2 (0.43) MMP2MMP12ALDH1A1SMN1; SMN2
SCHEMBL6080108 0.89 APP (0.41) MMP2MMP12ALDH1A1SMN1; SMN2LMNA
SCHEMBL6079785 0.83 HDAC3 (0.40) ALDH1A1SMN1; SMN2NOTUMLMNAHPGD
SCHEMBL6080518 0.83 HDAC3 (0.40) ALDH1A1SMN1; SMN2NOTUMLMNAHPGD
SCHEMBL6596772 0.82 MMP2 (0.42) MMP2MMP12ALDH1A1SMN1; SMN2EGLN1
SCHEMBL6079485 0.79 XDH (0.42) ALDH1A1NOTUMHPGDPPIAKDM4E
SCHEMBL6079222 0.79 APP (0.41) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL6614590 0.79 CTSV (0.39) MMP2MMP12MAPTMEN1KMT2A
SCHEMBL6079888 0.78 MMP2 (0.40) MMP2MMP12ALDH1A1SMN1; SMN2EGLN1

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 MMP2 4090/4885MMP12 4456/4885ALDH1A1 2726/4885

“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.