SCHEMBL12033807

SCHEMBL12033807

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc3c(c2)c2cc(-n4c5ccc(-c6ccc(C)cc6)cc5c5cc(-c6ccc(C)cc6)ccc54)ccc2n3-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.42
▸ PIK3CD O00329 5/20 0.42
▸ MTOR P42345 6/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 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
SCHEMBL12033605 0.96 PIK3CD (0.40) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL12132281 0.93 PIK3CA (0.40) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL12033845 0.93 AKR1C4 (0.39) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL12033783 0.90 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1HTTALDH1A1
SCHEMBL12093196 0.90 PIK3CD (0.38) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL12033654 0.90 NR3C1 (0.40) PIK3CAPIK3CDHRH4ALDH1A1NPC1
SCHEMBL12033733 0.89 DHODH (0.40) CYP1A1CYP1A2CYP1B1HTTALDH1A1
SCHEMBL12033586 0.89 NR3C1 (0.39) PIK3CAMTORALDH1A1ATMLMNA
SCHEMBL12033740 0.89 NR3C1 (0.39) PIK3CAMTORALDH1A1ATMLMNA
SCHEMBL12132276 0.89 L3MBTL1 (0.43) PIK3CAPIK3CDCYP1A1CYP1A2CYP1B1

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 PIK3CA 3723/4885PIK3CD 3932/4885MTOR 2658/4885

“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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