SCHEMBL21709933

SCHEMBL21709933

COc1ccc(C2(c3ccc(SC)cc3)SCCS2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.50
CYP1A2 P05177 5/20 0.50
CYP1B1 Q16678 5/20 0.50
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SLC6A4 P31645 1/20 0.39
GSK3B P49841 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
BACE1 P56817 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL18288047 0.88 CA1 (0.48) ALDH1A1GAASLC6A4MAOBMAOA
SCHEMBL12436889 0.81 OPRM1 (0.54) MAOBMAOABACE1CA12CA1
SCHEMBL12857675 0.81 ACHE (0.56) MAOBMAOABACE1CA12CA1
SCHEMBL12857816 0.81 ACHE (0.56) MAOBMAOABACE1CA12CA1
SCHEMBL1145983 0.78 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL11986269 0.78 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL12857680 0.77 ACHE (0.50) ALDH1A1MAOBMAOABACE1CA12
SCHEMBL12858026 0.77 ACHE (0.50) ALDH1A1MAOBMAOABACE1CA12
SCHEMBL12857809 0.75 OPRM1 (0.49) MAOBMAOABACE1MAPTOPRM1
Hydrogen Sulfide SCHEMBL17008164 0.75 CYP1A1 (0.72) CYP1A1CYP1A2CYP1B1ALDH1A1GAA

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-11142495-B2 Composition and method for manufacturing device using same TOYO GOSEI CO., LTD. (JP) 2021-10-12 US disclosed
US-20200048191-A1 COMPOSITION AND METHOD FOR MANUFACTURING DEVICE USING SAME TOYO GOSEI CO., LTD. (JP) 2020-02-13 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 (2 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-20200048191-A1 COMPOSITION AND METHOD FOR MANUFACTURING DEVICE USING SAME LBR, LMTK2, MMS19 CYP1A1 4734/4885CYP1A2 4723/4885CYP1B1 4533/4885
US-11142495-B2 Composition and method for manufacturing device using same LBR, LMTK2, MMS19 CYP1A1 4734/4885CYP1A2 4723/4885CYP1B1 4533/4885

“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.