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SCHEMBL4470995

SCHEMBL4470995

Cc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 13/20 0.71
▸ LPL P06858 12/20 0.71
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ F11 P03951 1/20 0.45
▸ ESR2 Q92731 1/20 0.41
▸ SNCA P37840 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ P4HB P07237 1/20 0.40

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
SCHEMBL64653 0.94 LPL (0.61) LIPGLPLCA1CA2CA9
SCHEMBL18077384 0.92 LIPG (0.61) LIPGLPLCA1CA2CA9
SCHEMBL24608995 0.91 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL2707320 0.91 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL1963035 0.89 LIPG (0.59) LIPGLPLCA1CA2CA9
SCHEMBL4360484 0.89 LIPG (0.59) LIPGLPLCA1CA2CA9
SCHEMBL24475066 0.89 LIPG (0.59) LIPGLPLCA1CA2CA9
SCHEMBL23624365 0.87 LIPG (0.56) LIPGLPLCA1CA2CA9
SCHEMBL19750259 0.87 LIPG (0.56) LIPGLPLCA1CA2CA9
SCHEMBL19831151 0.87 LIPG (0.56) LIPGLPLCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME LAPTO CO., LTD. (KR) 2023-10-19 — — US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 — — US disclosed
US-10240088-B2 Substituted polyphenyls MERCK PATENT GMBH (DE) 2019-03-26 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 — — EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 — — 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 (4 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 LIPG 1953/4885LPL 647/4885CA1 3248/4885
US-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AOC1, ODC1, PIEZO1 LIPG 2567/4885LPL 2737/4885CA1 386/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 LIPG 4717/4885LPL 4831/4885CA1 1563/4885
US-10240088-B2 Substituted polyphenyls PDS5A, XPA, PDS5B LIPG 4223/4885LPL 2926/4885CA1 4028/4885

“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.