SCHEMBL14865018

SCHEMBL14865018

COc1ccc(-c2ccc(CCC(=O)O)n2CCC(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.85
ALDH1A1 P00352 16/20 0.85
HSD17B10 Q99714 8/20 0.85
MAPT P10636 7/20 0.85
HPGD P15428 6/20 0.85
GAA P10253 6/20 0.85
ALOX15 P16050 6/20 0.85
MEN1 O00255 5/20 0.85
KMT2A Q03164 5/20 0.85
POLB P06746 4/20 0.85
CASP1 P29466 2/20 0.85
USP2 O75604 2/20 0.85
ALOX12 P18054 2/20 0.85
LMNA P02545 1/20 0.85
CASP7 P55210 1/20 0.85
NPSR1 Q6W5P4 1/20 0.85
GLA P06280 3/20 0.75
CNKSR1 Q969H4 1/20 0.69
CYP2C9 P11712 1/20 0.69
L3MBTL1 Q9Y468 3/20 0.62

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
SCHEMBL14865002 0.90 KDM4E (0.86) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL19275255 0.89 ALDH1A1 (0.77) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL19270610 0.85 ALDH1A1 (0.79) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL17211755 0.82 CNKSR1 (1.00) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL14285635 0.82 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL14865000 0.80 KDM4E (1.00) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL17211683 0.79 KDM4E (0.56) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL17213444 0.78 MAPT (0.55) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL17211702 0.77 ALDH1A1 (0.85) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL17211717 0.77 CNKSR1 (0.85) KDM4EALDH1A1HSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 US claimed
EP-2991963-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION Heinrich-Heine-Universität Düsseldorf (DE) 2016-03-09 EP claimed
WO-2014177464-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2014-11-06 WO claimed
EP-2991963-B1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH HEINE UNIV DUESSELDORF (DE) 2021-07-07 EP disclosed
EP-2991963-B1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH HEINE UNIV DUESSELDORF (DE) 2021-07-07 EP disclosed
US-20210147415-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2021-05-20 US disclosed
US-20210147415-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2021-05-20 US disclosed
US-20170241981-A1 PLASMA MEMBRANE CITRATE TRANSPORTER FOR USE IN THE DIAGNOSIS AND TREATMENT OF CANCER UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2017-08-24 US disclosed
US-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 US disclosed
US-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 US disclosed
EP-2991963-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION Heinrich-Heine-Universität Düsseldorf (DE) 2016-03-09 EP disclosed
WO-2014177464-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2014-11-06 WO disclosed
WO-2014177464-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2014-11-06 WO disclosed
EP-2581451-A1 Compounds for inhibiting mammalian s-nitrosoglutathione reductase Indiana University Research and Technology Corporation (US) 2013-04-17 EP 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 (3 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-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION RUNX1, ETV6, NPM1 KDM4E 2323/4885ALDH1A1 4852/4885HSD17B10 2447/4885
US-20170241981-A1 PLASMA MEMBRANE CITRATE TRANSPORTER FOR USE IN THE DIAGNOSIS AND TREATMENT OF CANCER SLC16A1, SLC16A7, SLC16A3 KDM4E 3129/4885ALDH1A1 1648/4885HSD17B10 846/4885
US-20210147415-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION RUNX1, ETV6, NPM1 KDM4E 2323/4885ALDH1A1 4852/4885HSD17B10 2447/4885

“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.