SCHEMBL21709948

SCHEMBL21709948

COc1ccccc1C1(c2ccc(SC)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
STK10 O94804 1/20 0.39
GSK3B P49841 1/20 0.39
SLK Q9H2G2 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX3 P56373 2/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL21709953 0.82 CYP1A1 (0.45) CYP1A2CYP1A1CYP1B1STK10GSK3B
SCHEMBL21709891 0.80 ALDH1A1 (0.39) CYP1A2SIGMAR1HTTCYP3A4CYP2C19
SCHEMBL21709884 0.78 CYP1A1 (0.43) CYP1A2CYP1A1CYP1B1SLC6A4CYP2C19
SCHEMBL21709952 0.77 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1GSK3BSLC6A4
SCHEMBL21709947 0.74 KMT2A (0.38) ALDH1A1KMT2A
SCHEMBL21709951 0.74 CYP1A1 (0.46) CYP1A2CYP1A1CYP1B1GSK3BSLC6A4
SCHEMBL21709883 0.69 ALDH1A1 (0.37) SIGMAR1SLC6A4CYP3A4CYP2C19ALDH1A1
SCHEMBL21709954 0.68 OPRM1 (0.43) HTTCA4ALDH1A1KMT2A
SCHEMBL7121045 0.67 TXNRD1 (0.41) SIGMAR1HTTCYP2D6TXNRD1TXNRD3
SCHEMBL24742132 0.66 SLC6A4 (0.39) GSK3BSLC6A4ALDH1A1KMT2A

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 CYP1A2 4723/4885CYP1A1 4734/4885CYP1B1 4533/4885
US-11142495-B2 Composition and method for manufacturing device using same LBR, LMTK2, MMS19 CYP1A2 4723/4885CYP1A1 4734/4885CYP1B1 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.