SCHEMBL18814886

SCHEMBL18814886

C=C(/C=C\CC)N(CC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TP53 P04637 2/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL21301180 0.92 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53MEN1
SCHEMBL20427770 0.84 ALDH1A1 (0.52) ALDH1A1GLATSHRTP53MEN1
SCHEMBL21776209 0.83 THRB (0.41) ALDH1A1TP53MEN1KMT2AHPGD
SCHEMBL22002870 0.82 NPSR1 (0.38) ALDH1A1GLATSHRTP53MEN1
SCHEMBL23254234 0.82 TSHR (0.36) ALDH1A1GLATSHRTP53MEN1
SCHEMBL21913825 0.81 FAAH (0.39) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL20122042 0.78 ALDH1A1 (0.30) ALDH1A1GLATSHR
SCHEMBL21533848 0.75 SIGMAR1 (0.32) —
SCHEMBL19596029 0.75 DHODH (0.36) ALDH1A1GLATSHRL3MBTL1HPGD
SCHEMBL2557200 0.74 ALDH1A1 (0.61) ALDH1A1GLATSHRTP53MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210313520-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-07 — — US disclosed
EP-3344606-B1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-09-09 — — EP disclosed
WO-2017073942-A1 ELECTRON BUFFERING MATERIALS, ELECTRON TRANSPORT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-05-04 — — WO 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-20210313520-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SLC18A3, SLC1A2, SLC18A1 ALDH1A1 173/4885GLA 2048/4885TSHR 2548/4885

“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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