SCHEMBL14730699

SCHEMBL14730699

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)O)nc23)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 2/20 0.35
PARP1 P09874 6/20 0.34
PARP2 Q9UGN5 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
MMP2 P08253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL14730842 0.79 PARP1 (0.46) PARP1
SCHEMBL14730689 0.73 KDM4E (0.47) KDM4EKMT2APARP1TDP1MAPT
SCHEMBL14730737 0.71 PARP1 (0.53) PARP1
SCHEMBL30649092 0.64 KMT2A (0.53) KDM4EKMT2APARP1TDP1ALOX15
SCHEMBL13348542 0.64 KDM4E (0.47) KDM4EKMT2APARP1TDP1ALOX15
SCHEMBL14730732 0.64 KDM4E (0.43) KDM4EMAPT
SCHEMBL13313466 0.63 KDM4E (0.46) KDM4EKMT2ATDP1ALOX15TSHR
SCHEMBL17514132 0.59 KDM4E (0.45) KDM4EKMT2ATDP1ALOX15TSHR
Methyl Alcohol SCHEMBL28609065 0.59 KDM4E (0.62) KDM4EKMT2ATDP1ALOX15TSHR
SCHEMBL1088781 0.59 KDM4E (0.67) KDM4EKMT2ATDP1ALOX15TSHR

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
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 KDM4E 4061/4885KMT2A 4109/4885PARP1 3610/4885

“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.