SCHEMBL12582087

SCHEMBL12582087

COc1ccc(-c2ccc(C(=O)C(C)C)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.68
MKNK2 Q9HBH9 1/20 0.68
NNMT P40261 2/20 0.53
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
OXTR P30559 1/20 0.49
CYP2A6 P11509 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ERN1 O75460 2/20 0.44
KCNH2 Q12809 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
GABRA1 P14867 1/20 0.43
KLK3 P07288 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL20906965 0.87 NNMT (0.64) MKNK1MKNK2NNMTOXTRKCNH2
SCHEMBL12641872 0.82 MKNK1 (0.73) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL30280631 0.82 MKNK1 (0.73) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL29365356 0.82 MKNK1 (0.73) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL1870306 0.82 MKNK1 (0.73) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL2945799 0.81 MKNK1 (0.71) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL27417480 0.79 NAPRT (0.50) MKNK1MKNK2CYP2A6
SCHEMBL12875869 0.78 MKNK1 (0.68) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL31174412 0.77 CYP2A6 (0.68) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL12418688 0.77 KDM4E (0.56) HSD17B1CD274

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-20110150769-A1 IDENTIFICATION AND USE OF COMPOUNDS FOR TREATING PERSISTENT PAIN THE JOHN HOPKINS UNIVERSITY 2011-06-23 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-20110150769-A1 IDENTIFICATION AND USE OF COMPOUNDS FOR TREATING PERSISTENT PAIN MRGPRX1, MRGPRX2, OPRL1 MKNK1 1952/4885MKNK2 1519/4885NNMT 2586/4885

“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.