SCHEMBL12432242

SCHEMBL12432242

CC1=CC(=C(C#N)C#N)C=C(C)N1CCO

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
KDM4E B2RXH2 6/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
KMT2A Q03164 4/20 0.57
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL12658392 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4336648 0.82 ALDH1A1 (0.90) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12431236 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12841607 0.81 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12658282 0.81 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12658439 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12841719 0.80 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12841611 0.80 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4340745 0.80 ALDH1A1 (0.97) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12658438 0.78 ALDH1A1 (0.68) 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 7 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

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.