SCHEMBL29636233

SCHEMBL29636233

c1cc2cc3cccc4c5ccc6c7cccc8cc9cccc%10c%11ccc%12c(c1)c2c(c34)c1c%12c%11c(c6c51)c(c9%10)c87

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.67
ERBB2 P04626 1/20 0.67
FYN P06241 1/20 0.67
MAOA P21397 1/20 0.67
ACHE P22303 1/20 0.67
AHR P35869 1/20 0.67
ALDH1A1 P00352 10/20 0.55
HSD17B10 Q99714 8/20 0.55
HPGD P15428 6/20 0.55
THRB P10828 1/20 0.55
TSHR P16473 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HIF1A Q16665 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
MEN1 O00255 1/20 0.42
DNMT1 P26358 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4851787 0.94 CYP1A2 (0.65) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30875854 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852697 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853629 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5474216 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4845221 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846712 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5474157 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21821355 0.93 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853683 0.91 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE

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-20230144367-A1 MECHANICAL-BOND-PROTECTED STABLE BISRADICALS NORTHWESTERN UNIVERSITY 2023-05-11 US disclosed
CN-108781071-B Square wave generating method and square wave generating circuit 深圳市汇顶科技股份有限公司 2022-05-13 CN 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-20230144367-A1 MECHANICAL-BOND-PROTECTED STABLE BISRADICALS CAT, CYCS, SOD1 CYP1A2 2857/4885ERBB2 873/4885FYN 4022/4885

“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.