SCHEMBL17792035

SCHEMBL17792035

COc1ccccc1-c1ccc(Cl)cc1C#C[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ ANO2 Q9NQ90 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL17792043 0.92 ALDH1A1 (0.43) ELANEALDH1A1PTGDR2KDM4EL3MBTL1
SCHEMBL21331550 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL3041368 0.81 PTGDR2 (0.47) ALDH1A1PTGDR2KDM4ENPSR1TDP1
SCHEMBL17792033 0.80 DRD2 (0.43) ELANEALDH1A1PTGDR2KDM4EGCGR
SCHEMBL17577284 0.77 TRPV4 (0.41) ALDH1A1PTGDR2KDM4ENPSR1TDP1
SCHEMBL14907033 0.76 AHR (0.36) ALDH1A1PTGDR2KDM4ENPC1RAB9A
SCHEMBL17792049 0.74 ELANE (0.43) ELANEALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL21177774 0.74 CRHR1 (0.55) ELANEALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL17792044 0.74 ALDH1A1 (0.44) ELANEALDH1A1PTGDR2KDM4EL3MBTL1
SCHEMBL852452 0.73 GRM5 (0.49) ALDH1A1PTGDR2KDM4EL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793491-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 — — US disclosed
US-9793491-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 — — US disclosed
US-20160155952-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-02 — — US disclosed
US-20160155952-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-02 — — 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-20160155952-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TMEM109, USE1, TRPC1 ELANE 3507/4885ALDH1A1 57/4885PTGDR2 3913/4885

“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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