SCHEMBL22195552

SCHEMBL22195552

CC1(C)OB(c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)c23)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.38
▸ MAPT P10636 10/20 0.37
▸ ALDH1A1 P00352 9/20 0.37
▸ KMT2A Q03164 8/20 0.37
▸ LMNA P02545 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 7/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL18018261 0.91 TSHR (0.41) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL22113678 0.87 LPL (0.36) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL22195852 0.86 — —
SCHEMBL22113830 0.85 LPL (0.35) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL18018260 0.85 TSHR (0.45) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL22195877 0.85 LPL (0.38) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL22178574 0.85 ALOX5 (0.35) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL22195850 0.85 LPL (0.37) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL38666080 0.83 LPL (0.36) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL22177441 0.83 LIPG (0.35) TSHRMAPTALDH1A1KMT2ALMNA

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-20210230182-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-07-29 — — US disclosed
WO-2020141949-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-07-09 — — 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-20210230182-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, CYP1A1 TSHR 3784/4885MAPT 660/4885ALDH1A1 21/4885

“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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