SCHEMBL9810053

SCHEMBL9810053

SCc1cc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.64
ASIC3 Q9UHC3 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.64
AGXT P21549 1/20 0.58
ADRB2 P07550 1/20 0.58
ADRA1D P25100 2/20 0.47
MGLL Q99685 1/20 0.44
BCL2L1 Q07817 1/20 0.42
IDH1 O75874 1/20 0.42
CHRNA7 P36544 1/20 0.42
CA2 P00918 1/20 0.41
APP P05067 2/20 0.40

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
SCHEMBL4049448 0.83 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4961407 0.82 CYP2A6 (0.69) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL661546 0.79 CYP2A6 (0.71) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL3030177 0.79 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL291668 0.78 CYP2A6 (0.70) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL1522855 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2568843 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL240588 0.78 CYP2A6 (1.00) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL18666283 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL3106945 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2

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
CN-108431149-B Anti-biofouling coatings based on epoxy resins and amine functional polysiloxanes 陶氏环球技术有限责任公司 2020-11-20 CN disclosed
US-20170057989-A1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2017-03-02 US disclosed
US-5004744-A Durability; effectiveness at low concentration BAYER AKTIENGESELLSCHAFT (DE) 1991-04-02 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 (1 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-20170057989-A1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF GCG, SLC5A1, DPP7 CYP2A6 78/4885ASIC3 4562/4885LOXL2 3192/4885

“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.