SCHEMBL25822858

SCHEMBL25822858

CC(C)(S)c1ncc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.37
CYP2A6 P11509 1/20 0.35
NCF1 P14598 2/20 0.34
FDPS P14324 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CCNE2 O96020 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 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
SCHEMBL322264 0.84 CYP1A2 (0.42) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL30368951 0.81 CYP1A2 (0.40) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL10271363 0.78 CYP1A2 (0.38) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL10704355 0.78 KDM4E (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL10707622 0.78 KDM4E (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL30200294 0.76 MAPT (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL3622982 0.76 MAPT (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL26018132 0.75 CYP1A2 (0.36) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL30562839 0.73 KDM4E (0.39) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL16402893 0.73 KDM4E (0.39) CYP1A2HTR3AHRH4KDM4EGPR3

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 1 patent. 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

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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM CYP1A2 585/4885HTR3A 4842/4885HRH4 4460/4885

“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.