SCHEMBL1822685

SCHEMBL1822685

CC1=CC(=C(C#N)C#N)C=C(C)N1C(CO)OC(C)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 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
SCHEMBL1824398 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL14041411 0.74 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12432242 0.65 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4336677 0.65 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12841999 0.65 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12387053 0.65 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12431236 0.64 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL13362011 0.61 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12841611 0.61 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL10078608 0.61 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2A

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-1716117-B1 IONIC UV-A SUNSCREENS AND COMPOSITIONS CONTAINING THEM DSM IP ASSETS BV (NL) 2011-05-04 EP disclosed
US-7897779-B2 Ionic UV-A sunscreens and compositions containing them DSM IP ASSETS B.V. (NL) 2011-03-01 US disclosed
US-20070275090-A1 Ionic Uv-A Sunscreens and Compositions Containing Them DSM IP ASSETS B.V. (NL) 2007-11-29 US disclosed
WO-2007017179-A1 USE OF IONIC UV-A SUNSCREENS DSM IP ASSETS B.V. (NL) 2007-02-15 WO disclosed
EP-1716117-A1 IONIC UV-A SUNSCREENS AND COMPOSITIONS CONTAINING THEM DSMIP Assets B.V. (NL) 2006-11-02 EP disclosed
WO-2005080341-A1 IONIC UV-A SUNSCREENS AND COMPOSITIONS CONTAINING THEM DSM IP ASSETS B.V. (NL) 2005-09-01 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-20070275090-A1 Ionic Uv-A Sunscreens and Compositions Containing Them SUN2, ERCC1, UNG ALDH1A1 173/4885KDM4E 1776/4885SMN1; SMN2 4433/4885

“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.