SCHEMBL6985509

SCHEMBL6985509

CC(C)Oc1cccc(-c2ccc3c(-c4cccnc4)csc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39

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
Hydrochloric Acid SCHEMBL6979381 0.99 MKNK1 (0.45) MKNK1MKNK2RXRARXRBGABRA1
SCHEMBL6984794 0.91 MKNK1 (0.44) MKNK1MKNK2IRAK4KMT2ARAB9A
Hydrochloric Acid SCHEMBL6985178 0.90 MKNK1 (0.43) MKNK1MKNK2IRAK4KMT2ARAB9A
SCHEMBL6982299 0.87 CYP11B2 (0.51) IRAK4KMT2ARAB9AMEN1NPC1
Hydrochloric Acid SCHEMBL6985271 0.86 CYP11B2 (0.50) IRAK4KMT2ARAB9AMEN1NPC1
SCHEMBL6985848 0.83 DYRK1A (0.50) MKNK1MKNK2PIK3CAPIK3CGPIK3CD
SCHEMBL6982148 0.81 CYP11B2 (0.52) GABRA1GABRG2GABRB3GABRA3IRAK4
SCHEMBL6985095 0.80 CYP11B1 (0.45) MKNK1MKNK2PIK3CAPIK3CDPIP5K1C
SCHEMBL6986226 0.80 FLT3 (0.47) KMT2ARAB9AMEN1NPC1DYRK1A
SCHEMBL6981139 0.79 CYP3A4 (0.54) PIK3CAPIK3CGPIK3CDPIK3CBRAB9A

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-20030130340-A1 Novel benzothiophene derivatives DAIICHI PHARMACEUTICAL CO. LTD. 2003-07-10 US disclosed
EP-1283209-A1 NOVEL BENZOTHIOPHENE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 EP 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-20030130340-A1 Novel benzothiophene derivatives CYP17A1, CYP21A2, HSD17B1 MKNK1 3971/4885MKNK2 4113/4885RXRA 3672/4885

“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.