SCHEMBL2044848

SCHEMBL2044848

C=CCN(CCCCCCN(CC=C)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
LSS P48449 3/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.31
DPP4 P27487 1/20 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
SCHEMBL15103224 0.92 ABCC4 (0.48) ALDH1A1ZDHHC20ZDHHC2MAPTABCC4
Hydrochloric Acid SCHEMBL2152784 0.89 ALDH1A1 (0.41) ALDH1A1ZDHHC20ZDHHC2LMNAMEN1
Hydrochloric Acid SCHEMBL11264305 0.89 ZDHHC20 (0.47) ALDH1A1ZDHHC20ZDHHC2MEN1KMT2A
SCHEMBL20565865 0.88 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL2159395 0.88 ZDHHC20 (0.46) ALDH1A1ZDHHC20ZDHHC2TSHR
SCHEMBL15941291 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDALOX12
SCHEMBL11290899 0.83 ALDH1A1 (0.37) ALDH1A1ZDHHC20ZDHHC2
SCHEMBL88005 0.83 ALDH1A1 (0.54) ALDH1A1MAPTABCC4SMN1; SMN2LMNA
SCHEMBL4720676 0.82 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8985064 0.80 ALDH1A1 (0.52) ALDH1A1MAPTABCC4SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507207-B1 COMPOSITION FOR RADIATION-CURED COATINGS FRAUNHOFER GES FORSCHUNG (DE) 2017-07-26 EP disclosed
US-8519038-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2013-08-27 US disclosed
EP-2507207-A2 N-ALLYL CARBAMATE COMPOUNDS AND THE USE THEREOF, IN PARTICULAR FOR RADIATION-CURED COATINGS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2012-10-10 EP disclosed
US-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2012-08-30 US disclosed
WO-2011067183-A2 N-ALLYL CARBAMATE COMPOUNDS AND THE USE THEREOF, IN PARTICULAR FOR RADIATION-CURED COATINGS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-06-09 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-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE ALDOA, ALDH7A1, ALDH3A1 ALDH1A1 6/4885ZDHHC20 4238/4885ZDHHC2 4501/4885

“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.