SCHEMBL12033783

SCHEMBL12033783

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.38
▸ ATM Q13315 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ RAC2 P15153 1/20 0.37

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
SCHEMBL24677381 0.94 ATM (0.43) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL12033845 0.94 AKR1C4 (0.39) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL24677156 0.92 ATM (0.45) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL21430896 0.92 KDM4E (0.46) HTTMAPTATMALDH1A1KDM4E
SCHEMBL12034077 0.91 ATM (0.41) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL14148762 0.91 ATM (0.41) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL26226387 0.91 ATM (0.44) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL12033807 0.90 PIK3CA (0.42) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL15604945 0.90 ATM (0.46) CYP1A1CYP1A2CYP1B1HTTLMNA
SCHEMBL12033605 0.90 PIK3CD (0.40) CYP1A1CYP1A2CYP1B1HTTLMNA

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-20110309345-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE HAVING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2011-12-22 — — US disclosed
US-20110309345-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE HAVING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2011-12-22 — — 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-20110309345-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE HAVING THE SAME ARL1, MCOLN2, NAT1 CYP1A1 242/4885CYP1A2 1104/4885CYP1B1 817/4885

“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.

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