SCHEMBL14915978

SCHEMBL14915978

COc1cc(C(=O)O)c(C(=O)C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CYP3A4 P08684 1/20 0.52
MYC P01106 1/20 0.50
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
HTT P42858 1/20 0.47
TPMT P51580 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL1417516 0.89 LCK (0.72) LCKFYNCYP3A4MYCKDM4E
SCHEMBL30415497 0.89 LCK (0.72) LCKFYNCYP3A4MYCKDM4E
SCHEMBL25021458 0.81 HTT (0.64) LCKFYNCYP3A4MYCKDM4E
SCHEMBL29765241 0.80 LCK (0.73) LCKFYNCYP3A4MYCKDM4E
SCHEMBL347214 0.80 LCK (0.73) LCKFYNCYP3A4MYCKDM4E
SCHEMBL2830233 0.80 LCK (0.72) LCKFYNCYP3A4MYCKDM4E
SCHEMBL28719929 0.79 KDM4E (0.63) LCKFYNCYP3A4MYCKDM4E
Hydrochloric Acid SCHEMBL22129893 0.78 LCK (0.70) LCKFYNCYP3A4MYCKDM4E
SCHEMBL13912968 0.78 LCK (0.64) LCKFYNCYP3A4MYCKDM4E
Hydrochloric Acid SCHEMBL8902783 0.78 LCK (0.69) LCKFYNCYP3A4MYCKDM4E

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 712/4885CYP3A4 507/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B LCK 2690/4885FYN 671/4885CYP3A4 436/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A LCK 3989/4885FYN 2515/4885CYP3A4 2015/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B LCK 2984/4885FYN 717/4885CYP3A4 495/4885

“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.