SCHEMBL5783702

SCHEMBL5783702

COc1c(B2OC(C)(C)C(C)(C)O2)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.41
▸ LIPG Q9Y5X9 2/20 0.41
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ABCG2 Q9UNQ0 5/20 0.36
▸ CYP1A1 P04798 3/20 0.36
▸ CYP1B1 Q16678 3/20 0.36
▸ ABCC1 P33527 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ ERN1 O75460 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ABCB1 P08183 1/20 0.32

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
SCHEMBL29774687 0.79 ALDH1A1 (0.44) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL21340650 0.79 ALDH1A1 (0.44) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL25035242 0.79 TSHR (0.46) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL21446903 0.79 LPL (0.44) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL10157983 0.78 CYP2A6 (0.44) LPLLIPGMAPTALDH1A1SMN1; SMN2
SCHEMBL24212093 0.78 PTPN22 (0.44) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL31420001 0.78 PTPN22 (0.44) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL24378952 0.78 LPL (0.43) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL15191774 0.78 LPL (0.43) LPLLIPGMAPTALDH1A1KDM4E
SCHEMBL31178986 0.78 LPL (0.43) LPLLIPGMAPTALDH1A1KDM4E

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
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 — — EP disclosed
EP-1506190-B1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER HOFFMANN LA ROCHE (CH) 2006-06-14 — — EP disclosed
US-7005432-B2 Substituted imidazol-pyridazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-02-28 — — US disclosed
EP-1506190-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 — — EP disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 — — US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 — — 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-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C LPL 4626/4885LIPG 4808/4885MAPT 779/4885

“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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