SCHEMBL24475397

SCHEMBL24475397

c1cc(-c2ccc3ccc(-c4ccc5nc(-c6ccc7cc(-c8ccc9ccc%10cccnc%10c9n8)ccc7c6)ccc5c4)cc3n2)c2ccncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 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
SCHEMBL22281884 0.97 IKBKE (0.43) IKBKETBK1NPC1RAB9APOLB
SCHEMBL23016343 0.97 IKBKE (0.43) IKBKETBK1NPC1RAB9APOLB
SCHEMBL23016128 0.94 IKBKE (0.41) IKBKETBK1NPC1RAB9APOLB
SCHEMBL24475592 0.92 TNF (0.39) NPC1RAB9APOLBCYP11B1CYP11B2
SCHEMBL23016163 0.91 IKBKE (0.43) IKBKETBK1NPC1RAB9APOLB
SCHEMBL22282121 0.90 NPC1 (0.42) NPC1RAB9ACYP11B1CYP11B2CYP17A1
SCHEMBL22282132 0.89 NPC1 (0.40) NPC1RAB9APOLBCYP11B1CYP11B2
SCHEMBL22282120 0.89 TNF (0.40) NPC1RAB9APOLBCYP11B1CYP11B2
SCHEMBL22970151 0.89 CYP11B1 (0.42) IKBKETBK1NPC1RAB9ACYP11B1
SCHEMBL23016129 0.89 TNF (0.41) NPC1RAB9APOLBCYP11B1CYP11B2

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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-06-02 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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 IKBKE 3975/4885TBK1 4116/4885NPC1 953/4885

“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.