SCHEMBL19323907

SCHEMBL19323907

CC(=O)N[C@@H](C(=O)c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TRPA1 O75762 2/20 0.45
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL19323897 1.00 KMT2A (0.48) KMT2AALDH1A1TRPA1MTNR1AMTNR1B
SCHEMBL19323051 0.84 ALDH1A1 (0.47) KMT2AALDH1A1TRPA1PGRADRA2A
SCHEMBL7434063 0.82 CES2 (0.43) KMT2AALDH1A1MTNR1AMTNR1BLMNA
SCHEMBL13127930 0.82 TRPA1 (0.47) KMT2AALDH1A1TRPA1PGRADRA2A
SCHEMBL24443518 0.81 ALDH1A1 (0.53) KMT2AALDH1A1TRPA1PGRADRA2A
SCHEMBL14037666 0.81 ALDH1A1 (0.53) KMT2AALDH1A1TRPA1PGRADRA2A
SCHEMBL10523295 0.81 MTNR1A (0.46) KMT2AALDH1A1MTNR1AMTNR1BPGR
SCHEMBL8802015 0.81 MTNR1A (0.46) KMT2AALDH1A1MTNR1AMTNR1BPGR
SCHEMBL19318534 0.81 TRPA1 (0.49) KMT2AALDH1A1TRPA1PGRADRA2A
SCHEMBL19323031 0.81 PGR (0.47) KMT2AALDH1A1TRPA1PGRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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 (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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC KMT2A 4575/4885ALDH1A1 1148/4885TRPA1 4478/4885

“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.