SCHEMBL13362011

SCHEMBL13362011

CC1=CC(=C(C#N)C#N)C=C(C)N1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL12841999 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4336677 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL13335390 0.77 KDM4E (0.30) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12431236 0.72 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL14041411 0.72 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1824398 0.71 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12432242 0.69 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10078608 0.68 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10078611 0.67 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4336648 0.67 ALDH1A1 (0.90) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119462-A1 UV-FILTER COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-05-13 US 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-20100119462-A1 UV-FILTER COMPOUNDS ERCC4, ERCC5, ERCC1 ALDH1A1 189/4885KDM4E 1538/4885SMN1; SMN2 4281/4885

“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.