SCHEMBL2485044

SCHEMBL2485044

C=CCOC(=O)C(=C)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL88871 0.84 CHRNB2 (0.54) CYP3A4ALDH1A1TSHRHSD17B10CHRNB2
SCHEMBL11781160 0.78 L3MBTL1 (0.43) ALDH1A1PKMSMN1; SMN2KMT2AMEN1
SCHEMBL3876826 0.76 TSHR (0.39) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL9304637 0.75 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL4610438 0.73 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10PKM
Phenol SCHEMBL10749165 0.73 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL2485042 0.73 CYP3A4 (0.45) CYP3A4ALDH1A1TSHRHSD17B10CHRNB2
SCHEMBL1420062 0.72 SMN1; SMN2 (0.48) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL13393309 0.72 CHRNB2 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL88055 0.72 MEN1 (0.50) CYP3A4ALDH1A1TSHRHSD17B10PKM

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-2550250-B1 AMINE SYNERGISTS AND THEIR USE IN RADIATION CURING SUN CHEMICAL BV (NL) 2020-06-24 EP disclosed
US-8952190-B2 Synergists SUN CHEMICAL B.V. (NL) 2015-02-10 US disclosed
EP-2550250-A2 AMINE SYNERGISTS AND THEIR USE IN RADIATION CURING Sun Chemical B.V. (NL) 2013-01-30 EP disclosed
US-20130012611-A1 SYNERGISTS SUN CHEMICAL B.V. (NL) 2013-01-10 US disclosed
WO-2011117591-A2 SYNERGISTS SUN CHEMICAL B.V. (NL) 2011-09-29 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-20130012611-A1 SYNERGISTS RAD51, MRE11, RAD52 CYP3A4 435/4885ALDH1A1 877/4885TSHR 2245/4885

“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.