SCHEMBL20228643

SCHEMBL20228643

c1cc2ccc3cc4c5cc(-c6ccncc6)ccc5c5ccccc5c5ccc(-c6ccncc6)cc5c5ccccc5c4c4ccc(c1)c2c34

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
ERBB2 P04626 1/20 0.49
FYN P06241 1/20 0.49
MAOA P21397 1/20 0.49
ACHE P22303 1/20 0.49
AHR P35869 1/20 0.49
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MKNK1 Q9BUB5 1/20 0.38
CHEK1 O14757 1/20 0.37
PIK3CA P42336 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CYP1A1 P04798 1/20 0.36
POLB P06746 1/20 0.36
CFTR P13569 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20228645 0.85 ALDH1A1 (0.48) CYP1A2ALDH1A1HPGDTHRBHSD17B10
SCHEMBL25112779 0.84 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112806 0.84 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20228686 0.83 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20228687 0.82 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20228600 0.82 MKNK1 (0.47) CYP1A2MKNK1CHEK1PIK3CACYP1A1
SCHEMBL4847347 0.82 CYP1A2 (0.70) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4850496 0.82 CYP1A2 (0.70) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20228721 0.81 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL24741392 0.80 MKNK1 (0.46) MKNK1CHEK1PIK3CAHSD17B1HSD17B2

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-10483468-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-19 US disclosed
US-20180159045-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 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-10483468-B2 Compound and organic electronic device using the same ORC3, RBX1, CBX3 CYP1A2 803/4885ERBB2 1110/4885FYN 3367/4885

“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.