SCHEMBL21709953

SCHEMBL21709953

COc1ccc(C2(c3ccc(SC)cc3)OCCO2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.45
CYP1A2 P05177 7/20 0.45
CYP1B1 Q16678 7/20 0.45
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
SLC6A4 P31645 1/20 0.41
JAK2 O60674 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
STK10 O94804 1/20 0.36
GSK3B P49841 1/20 0.36
SLK Q9H2G2 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
SCHEMBL21709884 0.95 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1ALDH1A1LMNA
SCHEMBL17024450 0.89 CA12 (0.43) CYP1A1CYP1A2CYP1B1ALDH1A1MAPT
SCHEMBL21709952 0.83 CYP1A1 (0.50) CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4
SCHEMBL16597941 0.83 CA2 (0.48) CYP1A1CYP1A2CYP1B1ALDH1A1LMNA
SCHEMBL21709948 0.82 CYP1A2 (0.41) CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4
SCHEMBL21709951 0.79 CYP1A1 (0.46) CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4
SCHEMBL16598128 0.79 ALOX5AP (0.38) ALDH1A1MEN1MAPTKMT2ACA2
SCHEMBL18287949 0.77 CA12 (0.46) CYP1A1CYP1A2CYP1B1ALDH1A1LMNA
SCHEMBL21709947 0.74 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2A
SCHEMBL16597808 0.72 POLB (0.41) ALDH1A1LMNAMEN1MAPTKMT2A

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.