SCHEMBL14914573

SCHEMBL14914573

COC(=O)C(C(=O)OC)c1cc(OC)c(OC)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ GFER P55789 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ MYC P01106 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ HTT P42858 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL2339344 0.89 TSHR (0.49) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL12245587 0.86 LCK (0.55) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL14914576 0.83 TSHR (0.47) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL31412877 0.82 TSHR (0.43) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL30575711 0.82 TSHR (0.43) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL7279292 0.80 LCK (0.56) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL14915520 0.77 SMN1; SMN2 (0.51) KDM4EKMT2AMEN1GFERMAPT
SCHEMBL1417516 0.77 LCK (0.72) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL30415497 0.77 LCK (0.72) LCKFYNKDM4EMAPK1KMT2A
SCHEMBL7316761 0.74 HTT (0.55) LCKFYNKDM4EMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 — — US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 — — US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 — — US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 — — EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 — — US disclosed
CN-104203919-A eterocyclic carboxamides useful as inhibitors of phosphodiesterase type 10A ABBVIE DEUTSCHLAND 2014-12-10 — — CN disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 — — EP disclosed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 — — WO disclosed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 — — 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 (4 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-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B LCK 2981/4885FYN 712/4885KDM4E 2209/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B LCK 2690/4885FYN 671/4885KDM4E 2227/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A LCK 3989/4885FYN 2515/4885KDM4E 1376/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B LCK 2984/4885FYN 717/4885KDM4E 2156/4885

“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.

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