SCHEMBL6079765

SCHEMBL6079765

COC(=O)c1cc(OCc2ccccc2)c2cccc(C#Cc3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PLAUR Q03405 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
PPIA P62937 1/20 0.39
PTGES O14684 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL6594101 0.89 MCL1 (0.43) PLAURMRGPRX4
SCHEMBL6080225 0.88 HDAC3 (0.42) NOTUMUSP2ALDH1A1TSHRHSD17B10
SCHEMBL6079485 0.85 XDH (0.42) NOTUMALDH1A1HPGDMRGPRX4PPIA
SCHEMBL6080308 0.82 ALDH1A1 (0.44) NOTUMUSP2ALDH1A1TSHRHSD17B10
SCHEMBL6079903 0.82 ALDH1A1 (0.44) NOTUMUSP2ALDH1A1TSHRHSD17B10
SCHEMBL6080646 0.80 NOTUM (0.42) NOTUMUSP2ALDH1A1TSHRHSD17B10
SCHEMBL6080661 0.80 APP (0.43) ALDH1A1LMNAMAPTAPP
SCHEMBL31389266 0.79 ALOX15 (0.55) NOTUMUSP2ALDH1A1TSHRHSD17B10
SCHEMBL6080107 0.79 ADORA3 (0.39) TDP1
SCHEMBL6080721 0.78 CTSV (0.41) ALDH1A1LMNAMAPTAPP

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 NOTUM 1846/4885USP2 3376/4885ALDH1A1 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.