SCHEMBL21037879

SCHEMBL21037879

CN(CCO)c1cc2cc3sccc3cc2s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30

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
SCHEMBL21160411 0.83 GPR35 (0.39) TDP1
SCHEMBL21160614 0.75 APP (0.40) TDP1CYP2A6
SCHEMBL21037848 0.75 CYP2A6 (0.43) CYP2A6
SCHEMBL21234760 0.75 CLK1 (0.45) CA2
SCHEMBL21234716 0.72 CLK1 (0.43) CA2
SCHEMBL21160618 0.72 GPR35 (0.33)
SCHEMBL12277743 0.72
SCHEMBL12278424 0.69
SCHEMBL4430674 0.68 CYP2A6 (0.37) CYP2A6CA2CTNNB1WNT3A
SCHEMBL15040947 0.68 CYP2A6 (0.37) CYP2A6CA12CA2CTNNB1WNT3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 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 (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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF TDP1 2012/4885CYP2A6 4407/4885CA12 4375/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF TDP1 2012/4885CYP2A6 4407/4885CA12 4375/4885

“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.