SCHEMBL25625872

SCHEMBL25625872

COc1ccc2c(ccc3c4ccncc4ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.53
CYP11B1 P15538 9/20 0.53
CYP17A1 P05093 2/20 0.51
CYP19A1 P11511 1/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2B6 P20813 1/20 0.50
CHUK O15111 1/20 0.50
ACHE P22303 1/20 0.47
EGFR P00533 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CLK1 P49759 2/20 0.46
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
CDK5 Q00535 2/20 0.46
DYRK1A Q13627 2/20 0.46

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
SCHEMBL30050418 0.83 CYP11B2 (0.60) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2
SCHEMBL1204577 0.83 CYP11B2 (0.60) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2
SCHEMBL3137389 0.83 CYP2A6 (0.62) CYP1A2NPC1RAB9AMAPTCYP2A6
SCHEMBL12277498 0.83 CYP2A6 (0.62) CYP1A2NPC1RAB9AMAPTCYP2A6
SCHEMBL12259995 0.83 CYP2A6 (0.62) CYP1A2NPC1RAB9AMAPTCYP2A6
SCHEMBL127857 0.82 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2
SCHEMBL27902298 0.81 CYP2A6 (0.65) CYP1A2NPC1RAB9AMAPTCYP2A6
SCHEMBL16225391 0.80 ACHE (0.60) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2
SCHEMBL12269009 0.79 CYP2A6 (0.58) CYP1A2NPC1RAB9AMAPTCYP2A6
SCHEMBL12268988 0.77 CYP2A6 (0.60) CYP1A2NPC1RAB9AMAPTCYP2A6

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-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-06-22 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-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, CRY1, RPS19 CYP11B2 677/4885CYP11B1 743/4885CYP17A1 1522/4885

“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.