SCHEMBL13984459

SCHEMBL13984459

CC(C)(O)C(C)(C)OBc1ccccc1N

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL24692119 0.82 ALDH1A1 (0.31) ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL25011790 0.80 IDO1 (0.39) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL24561700 0.80 IDO1 (0.34) —
SCHEMBL24074578 0.80 TSHR (0.32) TSHR
SCHEMBL22791773 0.80 TSHR (0.36) ALDH1A1TDP1ALOX15CYP3A4SMN1; SMN2
SCHEMBL24900112 0.80 — —
SCHEMBL23201472 0.79 — —
SCHEMBL23312577 0.79 — —
SCHEMBL24713808 0.78 — —
SCHEMBL18059180 0.77 CYP3A4 (0.37) ALDH1A1TDP1ALOX15CYP3A4SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4194458-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-06-14 — — EP disclosed
US-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-31 — — US disclosed
WO-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 — — WO disclosed
WO-2008155745-A2 NEW PROCESS FOR THE MANUFACTURE OF 1H-IMIDAZO[4,5-C]-QUINOLINE RING SYSTEMS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-12-24 — — 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-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE AOX1, OXER1, OR51E2 ALDH1A1 14/4885ADRA2B 2137/4885PTGS1 853/4885

“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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