SCHEMBL14915522

SCHEMBL14915522

CCOC(=O)C(C(=O)O)c1ccc(OC)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
LMNA P02545 1/20 0.43
PRNP P04156 1/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 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
SCHEMBL24257971 0.94 SMN1; SMN2 (0.48) SMN1; SMN2AKR1C3AKR1C2LMNAPRNP
SCHEMBL30575774 0.94 SMN1; SMN2 (0.48) SMN1; SMN2AKR1C3AKR1C2LMNAPRNP
SCHEMBL22149208 0.90 SMN1; SMN2 (0.44) SMN1; SMN2AKR1C3AKR1C2LMNAPRNP
SCHEMBL14915840 0.87 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2LMNAKDM4E
SCHEMBL14915520 0.84 SMN1; SMN2 (0.51) SMN1; SMN2AKR1C3AKR1C2LMNAKDM4E
SCHEMBL14914576 0.80 TSHR (0.47) SMN1; SMN2LMNAKDM4ETDP1ALDH1A1
SCHEMBL2554045 0.79 SMN1; SMN2 (0.53) SMN1; SMN2AKR1C3AKR1C2LMNAKDM4E
SCHEMBL8325804 0.78 MMP8 (0.53) LMNAKDM4EPOLBNPC1TDP1
SCHEMBL1044605 0.77 ALDH1A1 (0.45) LMNAKDM4EPOLBNPC1RAB9A
SCHEMBL4262705 0.76 MAPT (0.48) SMN1; SMN2AKR1C3AKR1C2LMNAKDM4E

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 8 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
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 SMN1; SMN2 1710/4885AKR1C3 107/4885AKR1C2 362/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B SMN1; SMN2 1928/4885AKR1C3 76/4885AKR1C2 251/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A SMN1; SMN2 941/4885AKR1C3 2182/4885AKR1C2 1324/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B SMN1; SMN2 1689/4885AKR1C3 109/4885AKR1C2 370/4885

“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.