SCHEMBL4333847

SCHEMBL4333847

CCCCC(CC)COCCCN1C(C)=CC(=C(C#N)C(=O)O)C=C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CA2 P00918 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NCOA1 Q15788 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
SCHEMBL5720585 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4337616 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL5720589 0.84 MMP9 (0.37) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL5720606 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL8656363 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL5720607 0.72 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL11577887 0.69 MAPT (0.49) ALDH1A1SMN1; SMN2CYP3A4CA2TSHR
SCHEMBL5720659 0.68 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPK1MMP9
SCHEMBL13259608 0.67 CYP3A4 (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4579017 0.67 KDM4E (0.43) ALDH1A1KDM4ELMNAMAPK1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611696-B2 Sunscreen compositions as well as dihydropyridines and dihydropyranes DSM IP ASSETS B.V. (NL) 2009-11-03 — — US claimed
EP-1474098-B1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS BV (NL) 2006-08-02 — — EP claimed
US-20050019278-A1 Sunscreen compositions as well as dihydropyridines and dihydropyranes ROCHE VITAMINS AG (CH) 2005-01-27 — — US claimed
EP-1474098-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP Assets B.V. (NL) 2004-11-10 — — EP claimed
WO-2003068183-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS B.V. (NL) 2003-08-21 — — WO claimed
US-7611696-B2 Sunscreen compositions as well as dihydropyridines and dihydropyranes DSM IP ASSETS B.V. (NL) 2009-11-03 — — US disclosed
EP-1474098-B1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS BV (NL) 2006-08-02 — — EP disclosed
US-20050019278-A1 Sunscreen compositions as well as dihydropyridines and dihydropyranes ROCHE VITAMINS AG (CH) 2005-01-27 — — US disclosed
EP-1474098-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP Assets B.V. (NL) 2004-11-10 — — EP disclosed
WO-2003068183-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS B.V. (NL) 2003-08-21 — — 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-20050019278-A1 Sunscreen compositions as well as dihydropyridines and dihydropyranes DHPS, DSG1, DHODH ALDH1A1 154/4885KDM4E 1689/4885SMN1; SMN2 4037/4885

“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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