SCHEMBL23813506

SCHEMBL23813506

CC1=CN(c2ccccc2C)[C@@H](C)N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ ADRB1 P08588 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ AR P10275 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12349374 1.00 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL12392996 0.81 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL17952470 0.78 TSHR (0.35) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL25049843 0.77 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL12349381 0.76 ADORA3 (0.31) MAPT
SCHEMBL19725777 0.74 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL12349382 0.74 — —
SCHEMBL11995094 0.72 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL12643066 0.72 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2
SCHEMBL9891021 0.72 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMGLLSMN1; SMN2

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-20210284672-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-09-16 — — 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-20210284672-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES PDCD1, TEC, PDCD4 ALDH1A1 870/4885HPGD 2666/4885KDM4E 2942/4885

“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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