SCHEMBL21709952

SCHEMBL21709952

COc1ccc(C2(c3ccc(SC)cc3)OCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.50
CYP1A2 P05177 5/20 0.50
CYP1B1 Q16678 5/20 0.50
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SLC6A4 P31645 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL21709951 0.95 CYP1A1 (0.46) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL17024451 0.88 CA1 (0.48) GAASLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL21709953 0.83 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL21709954 0.83 OPRM1 (0.43) ALDH1A1MAPT
SCHEMBL9858191 0.81 CYP1A1 (0.51) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL12857953 0.81 ACHE (0.56) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12857831 0.81 ACHE (0.56) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18287951 0.80 CA1 (0.44) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16543025 0.80 CA1 (0.44) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21709884 0.78 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4

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.