SCHEMBL5741185

SCHEMBL5741185

COc1ccc(-c2ccc3c(=O)c4c(sc3c2)CC(C)(C)CC4)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIP5K1C O60331 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 2/20 0.38
ERN1 O75460 1/20 0.38
OTUD7B Q6GQQ9 2/20 0.37
TOP1 P11387 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
LIMK1 P53667 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CSF1R P07333 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL5741287 0.83 LIMK1 (0.36) OTUD7BLIMK1KCNH2
SCHEMBL5738790 0.82 LIMK1 (0.38) LIMK1
SCHEMBL6502371 0.82 PRMT5 (0.38) PIK3CACYP2A6LIMK1
SCHEMBL5738937 0.82 LIMK1 (0.40) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL5738998 0.82 LIMK1 (0.34) LIMK1
SCHEMBL5740728 0.81 ABL1 (0.41) CYP2A6LIMK1
SCHEMBL5741883 0.80 PIK3CG (0.38) PIK3CGCYP2A6LIMK1
SCHEMBL5739106 0.79 CYP11B2 (0.43) PIK3CGPIK3CACYP2A6CYP19A1
SCHEMBL5738867 0.77 ABL1 (0.40) PDGFRA
SCHEMBL5740852 0.77 CYP11B2 (0.40) PIK3CGLIMK1MKNK1MKNK2

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
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA PIK3CG 4431/4885PIK3CA 4593/4885PIK3CD 4559/4885

“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.