SCHEMBL15096898

SCHEMBL15096898

CC(=O)N1CC=C(C#N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
BPTF Q12830 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 2/20 0.33
QDPR P09417 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
CYP3A4 P08684 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL28001268 0.74
SCHEMBL19087029 0.71
SCHEMBL27394473 0.69
SCHEMBL11846574 0.67 QDPR (0.41) NOTUMALDH1A1KDM4EHSD17B10MAPT
SCHEMBL18269036 0.67 NOTUM (0.39) NOTUMKDM4EMAPTHTTMEN1
SCHEMBL13900837 0.67 NOTUM (0.39) NOTUMALDH1A1KDM4EHSD17B10MAPT
SCHEMBL13536722 0.63 CYP3A4 (0.40) NOTUMALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8163530 0.63 ALDH1A1 (0.49) NOTUMALDH1A1KDM4EHSD17B10MAPT
SCHEMBL13804073 0.63 QDPR (0.47) NOTUMBPTFQDPRCYP1A2CASP6
SCHEMBL26987762 0.63 QDPR (0.47) NOTUMALDH1A1KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428019-B2 Chiral auxiliaries WAVE LIFE SCIENCES LTD. (SG) 2019-10-01 US disclosed
EP-2620428-A1 ASYMMETRIC AUXILIARY GROUP Chiralgen, Ltd. (JP) 2013-07-31 EP disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US 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-20130178612-A1 CHIRAL AUXILIARIES POLL, PCNA, POLM NOTUM 4217/4885ALDH1A1 3045/4885KDM4E 4672/4885
US-10428019-B2 Chiral auxiliaries PCNA, POLL, TYMP NOTUM 3003/4885ALDH1A1 2263/4885KDM4E 4634/4885

“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.