SCHEMBL4336648

SCHEMBL4336648

CCCCN1C(C)=CC(=C(C#N)C#N)C=C1C

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.90
KDM4E B2RXH2 5/20 0.90
SMN1; SMN2 Q16637 2/20 0.90
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 3/20 0.36
MEN1 O00255 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31

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
SCHEMBL4340745 0.93 ALDH1A1 (0.97) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12841607 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12658282 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12841719 0.83 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12432242 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12658438 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12658437 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4347038 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12431236 0.82 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL14393763 0.80 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT

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 12 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
CN-100563622-C Light screening composition and dihydropyridine and dihydropyran DSM IP ASSETS BV (NL) 2009-12-02 CN disclosed
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
CN-1630504-A Sunscreen compositions as well as dihydropyridines and dihydropyranes DSM IP ASSETS BV (NL) 2005-06-22 CN 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.