SCHEMBL20185541

SCHEMBL20185541

CC(C)C(=O)c1ccc(C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
DBH P09172 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
CYP2C9 P11712 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
USP5 P45974 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 2/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10121174 0.83 KDM4E (0.62) KDM4EDBHGAARECQLCES2
SCHEMBL6452937 0.82 KDM4E (0.52) KDM4EDBHGAARECQLCES2
SCHEMBL195312 0.82 CYP2C9 (0.53) KDM4EDBHGAARECQLCYP2C9
SCHEMBL20075197 0.79 SMN1; SMN2 (0.41) GAACES2CES1CYP2C9HDAC1
SCHEMBL25524701 0.78 KDM4E (0.48) KDM4EDBHGAARECQLCES2
SCHEMBL6726501 0.77 CES2 (0.54) KDM4EDBHGAARECQLCES2
SCHEMBL204960 0.77 CES2 (0.54) KDM4EDBHGAARECQLCES2
SCHEMBL3313610 0.77 MAPT (0.48) GAATDP1L3MBTL1LMNAALDH1A1
SCHEMBL29390838 0.77 PTGS2 (0.57) KDM4EDBHGAARECQLCYP2C9
SCHEMBL21284253 0.77 KDM4E (0.47) KDM4EDBHGAARECQLCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 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 (2 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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D KDM4E 2652/4885DBH 37/4885GAA 195/4885
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D KDM4E 2652/4885DBH 37/4885GAA 195/4885

“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.