SCHEMBL1824398

SCHEMBL1824398

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
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
SCHEMBL14041411 0.86 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1822685 0.76 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12841999 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4336677 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12431236 0.71 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL13362011 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12387053 0.68 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12432242 0.68 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10078608 0.67 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10078611 0.66 ALDH1A1 (0.55) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727515-B1 UV ABSORBING CHROMOPHORES COVALENTLY BONDED TO HYPERBRANCHED POLYMERS DSM IP ASSETS BV (NL) 2014-04-30 EP disclosed
US-7988953-B2 cosmetic; dendritic polyether; sunscreens DSM IP ASSETS B.V. (NL) 2011-08-02 US disclosed
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-20080081025-A1 Uv Absorbing Chromophores Covalently Bonded to Hyperbranched Polymers DSM IP ASSETS B.V. (NL) 2008-04-03 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-1727515-A1 UV ABSORBING CHROMOPHORES COVALENTLY BONDED TO HYPERBRANCHED POLYMERS DSMIP Assets B.V. (NL) 2006-12-06 EP disclosed
EP-1716117-A1 IONIC UV-A SUNSCREENS AND COMPOSITIONS CONTAINING THEM DSMIP Assets B.V. (NL) 2006-11-02 EP disclosed
WO-2005092282-A1 UV ABSORBING CHROMOPHORES COVALENTLY BONDED TO HYPERBRANCHED POLYMERS DSM IP ASSETS B.V. (NL) 2005-10-06 WO 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 (2 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
US-20080081025-A1 Uv Absorbing Chromophores Covalently Bonded to Hyperbranched Polymers PCNA, MMS19, ERCC4 ALDH1A1 91/4885KDM4E 2562/4885SMN1; SMN2 2132/4885

“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.