SCHEMBL25035234

SCHEMBL25035234

CC(C)c1cccc2cc(-c3ccccc3N)oc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
P2RY1 P47900 8/20 0.45
F2RL3 Q96RI0 1/20 0.41
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL13533054 0.75 POLB (0.49) NPC1RAB9AMAOAMAOBF2RL3
SCHEMBL5723099 0.74 ALDH1A1 (0.50) NPC1RAB9AP2RY1F2RL3ALDH1A1
SCHEMBL14377703 0.72 MAOA (0.42) MAOAMAOBP2RY1F2RL3AKR1C3
SCHEMBL9812762 0.72 MAOB (0.62) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL17454722 0.70 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA12CA1CA2
Methane SCHEMBL28188109 0.70 MAOB (0.61) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL27471915 0.69 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL25035317 0.69 ALDH1A1 (0.36) NPC1RAB9AALDH1A1L3MBTL1CA12
SCHEMBL31611936 0.68 ALDH1A1 (0.50) MAOAALDH1A1L3MBTL1CA12CA1
SCHEMBL8043769 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1CA12CA1CA2

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-20230051087-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-02-16 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-20230051087-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME BMI1, RIF1, EMG1 NPC1 3722/4885RAB9A 1472/4885MAOA 472/4885

“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.