SCHEMBL22299905

SCHEMBL22299905

CC1(C)OB(c2cc(-c3cccnc3)c(-c3cccnc3)s2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 9/20 0.41
▸ CYP2C19 P33261 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CYP2E1 P05181 2/20 0.41
▸ CYP2B6 P20813 2/20 0.41
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ CYP11B1 P15538 3/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 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
SCHEMBL22299902 0.81 MAPK14 (0.41) CYP2C19CYP3A4CYP2C9CYP2D6LPL
SCHEMBL22299971 0.80 LIPG (0.47) CYP2A6CYP2B6LPLLIPG
Ammonia Solution, Strong SCHEMBL28495870 0.79 LIPG (0.46) CYP2A6CYP2B6LPLLIPG
SCHEMBL16714127 0.76 HPGDS (0.44) CYP2A6CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL22300078 0.75 MAPK14 (0.40) LPLLIPGALDH1A1
SCHEMBL23487529 0.74 LPL (0.47) CYP2A6CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL5529453 0.73 LPL (0.49) CYP2A6CYP3A4LPLLIPGCYP11B1
SCHEMBL22299901 0.72 MAOA (0.40) CYP2A6CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL22636737 0.72 LIPG (0.45) CYP2A6CYP3A4LPLLIPGCYP11B1
SCHEMBL31401337 0.72 LIPG (0.45) LPLLIPGCYP11B1CYP11B2GABRA1

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 CYP2A6 450/4885CYP2C19 228/4885CYP3A4 278/4885

“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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