SCHEMBL22947461

SCHEMBL22947461

CS1(C)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
GPR3 P46089 1/20 0.38
AHR P35869 1/20 0.38
CYP2A6 P11509 1/20 0.37
PDK2 Q15119 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
S100A4 P26447 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
EPAS1 Q99814 2/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21695235 0.91 S100A4 (0.41) PTPRCAHRCYP2A6CA12CA9
SCHEMBL21565548 0.84 MAPK1 (0.40) PTPRCCYP2A6L3MBTL1MAPK1SMN1; SMN2
SCHEMBL22947458 0.80 PTPRC (0.38) PTPRCGPR3AHRCYP2A6PDK2
SCHEMBL13712181 0.79 GPR3 (0.55) PTPRCGPR3CA12CA9S100A4
SCHEMBL25625552 0.78 S100A4 (0.41) PTPRCAHRCYP2A6CA9S100A4
SCHEMBL1454928 0.78 GPR3 (0.64) PTPRCGPR3CA12CA9L3MBTL1
SCHEMBL29943511 0.78 GPR3 (0.64) PTPRCGPR3CA12CA9L3MBTL1
SCHEMBL18782731 0.77 HSD17B10 (0.47) GPR3CYP2A6PDK2CA12CA9
SCHEMBL22947434 0.76 PTPRC (0.37) PTPRCAHRCYP2A6PDK2S100A4
SCHEMBL24123383 0.75 S100A4 (0.44) GPR3CYP2A6PDK2CA12CA9

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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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 (3 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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM PTPRC 2769/4885GPR3 4663/4885AHR 3212/4885
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM PTPRC 3233/4885GPR3 3428/4885AHR 4322/4885
US-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 PTPRC 3228/4885GPR3 2924/4885AHR 33/4885

“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.