SCHEMBL2629669

SCHEMBL2629669

CCOc1cc(C=O)cc2c1OCOC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 9/20 0.42
SMPD1 P17405 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
AOC3 Q16853 1/20 0.36
LMNA P02545 2/20 0.36
TACR2 P21452 1/20 0.36
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1620646 0.84 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1620883 0.81 ALDH1A1 (0.38) KDM4EALDH1A1SMPD1L3MBTL1POLB
SCHEMBL10656432 0.80 SMPD1 (0.40) KDM4EALDH1A1SMPD1L3MBTL1AOC3
SCHEMBL5628167 0.78 AOC3 (0.48) KDM4EALDH1A1L3MBTL1AOC3LMNA
SCHEMBL1619701 0.78 SMPD1 (0.49) KDM4EALDH1A1SMPD1L3MBTL1AOC3
SCHEMBL10653995 0.77 SMPD1 (0.36) ALDH1A1SMPD1AOC3POLBRAB9A
SCHEMBL1620023 0.76 ALDH1A1 (0.36) KDM4EALDH1A1LMNAPOLBRAB9A
SCHEMBL5786517 0.72 KDM4E (0.43) KDM4EALDH1A1L3MBTL1LMNATACR2
SCHEMBL1620516 0.70 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL10654978 0.70 NR1I3 (0.38) KDM4ESMPD1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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 (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-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 KDM4E 3911/4885ALDH1A1 701/4885SMPD1 4835/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 KDM4E 3728/4885ALDH1A1 905/4885SMPD1 4837/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 KDM4E 3720/4885ALDH1A1 710/4885SMPD1 4730/4885

“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.