SCHEMBL22299902

SCHEMBL22299902

CC1(C)OB(c2cc(-c3ccncc3)c(-c3ccncc3)s2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LPL P06858 2/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34

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
SCHEMBL22300078 0.93 MAPK14 (0.40) MAPK14KDM4ELPLLIPG
SCHEMBL22299971 0.85 LIPG (0.47) KDM4EMAPTLPLLIPG
Ammonia Solution, Strong SCHEMBL28495870 0.84 LIPG (0.46) KDM4EMAPTLPLLIPG
SCHEMBL22299905 0.81 CYP2A6 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22299904 0.70 KDM4E (0.38) KDM4ECYP1A2MAPTLPLLIPG
SCHEMBL24319012 0.69 KDM4E (0.41) MAPK14KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2009965 0.69 CYP2A6 (0.47) LPLLIPG
SCHEMBL22299906 0.69 MAPK14 (0.39) MAPK14LPLLIPG
SCHEMBL10019510 0.69 — —
SCHEMBL15803153 0.68 LIPG (0.49) MAPTLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-31 — — US disclosed
WO-2020159249-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 엘티소재주식회사 2020-08-06 — — 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 MAPK14 773/4885KDM4E 3241/4885CYP1A2 203/4885

“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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