SCHEMBL25112680

SCHEMBL25112680

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7ccc8cccc9c%10cc(-c%11cccc(-c%12ccccc%12-c%12nc(-c%13ccccc%13)nc(-c%13cccc(-c%14cccc(-c%15cc%16ccc%17cccc%18c%19cccc%20ccc%21cccc(c(c%15)c%16c%17%18)c%21c%20%19)c%14)c%13)n%12)c%11)cc%11ccc%12cccc(c(c6)c7c89)c%12c%11%10)c5)c4)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 2/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL25112706 0.99 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112700 0.95 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112735 0.94 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112703 0.93 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112676 0.92 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112655 0.91 MEN1 (0.39) CYP1A2ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL25112731 0.91 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112679 0.91 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112611 0.90 ALDH1A1 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112677 0.90 ALDH1A1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 CYP1A2 1265/4885ERBB2 3766/4885FYN 2545/4885

“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.