SCHEMBL19634440

SCHEMBL19634440

CC(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
PTGES O14684 1/20 0.52
ACACB O00763 1/20 0.47
HDAC1 Q13547 3/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL12131750 0.84 ERCC1 (0.70) ERCC1ERCC4HDAC1KMT2AMEN1
SCHEMBL19634695 0.82 ERCC1 (0.49) EPHX2NR1H4ERCC1ERCC4PTGES
SCHEMBL4562855 0.81 KMT2A (0.66) EPHX2NR1H4ERCC1ERCC4HDAC1
SCHEMBL19682898 0.81 KMT2A (0.66) EPHX2NR1H4ACACBHDAC1KMT2A
SCHEMBL13848261 0.81 ERCC1 (0.58) EPHX2NR1H4ERCC1ERCC4ACACB
SCHEMBL9911471 0.80 ERCC1 (0.57) EPHX2ERCC1ERCC4HDAC1KMT2A
SCHEMBL13848262 0.80 ERCC1 (0.57) EPHX2NR1H4ERCC1ERCC4HDAC1
SCHEMBL23471343 0.80 ERCC1 (0.47) EPHX2NR1H4ERCC1ERCC4PTGES
SCHEMBL24558042 0.79 ERCC1 (0.64) ERCC1ERCC4HDAC1KMT2AMEN1
SCHEMBL12864477 0.79 ERCC1 (0.55) ERCC1ERCC4PTGESKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 EPHX2 6/4885NR1H4 1/4885ERCC1 2685/4885

“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.