SCHEMBL13848261

SCHEMBL13848261

CC(=O)c1ccc(CNC(=O)C(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 2/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MME P08473 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45

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 0.89 ERCC1 (0.70) ERCC1ERCC4KMT2AHDAC1LMNA
SCHEMBL4562855 0.86 KMT2A (0.66) ERCC1ERCC4EPHX2NR1H4KMT2A
SCHEMBL12134066 0.85 ERCC1 (0.62) ERCC1ERCC4KMT2AALDH1A1HDAC1
SCHEMBL13848262 0.84 ERCC1 (0.57) ERCC1ERCC4EPHX2NR1H4KMT2A
SCHEMBL24558042 0.83 ERCC1 (0.64) ERCC1ERCC4KMT2AALDH1A1HDAC1
SCHEMBL22060070 0.83 NR1H4 (0.60) ERCC1ERCC4EPHX2NR1H4KMT2A
SCHEMBL12864477 0.83 ERCC1 (0.55) ERCC1ERCC4KMT2AALDH1A1LMNA
SCHEMBL12884461 0.82 EPHX2 (0.56) EPHX2NR1H4KMT2AALDH1A1HDAC1
SCHEMBL22060015 0.81 ERCC1 (0.62) ERCC1ERCC4EPHX2KMT2AHDAC1
SCHEMBL18887748 0.81 ERCC1 (0.67) ERCC1ERCC4KMT2AHDAC1LMNA

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-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 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 ERCC1 2685/4885ERCC4 1558/4885EPHX2 6/4885

“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.