SCHEMBL20202580

SCHEMBL20202580

CCC(O)c1ccc(C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SHBG P04278 1/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PDE2A O00408 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17947385 0.85 LMNA (0.45) LMNASHBGAKR1C3AKR1C2PDE2A
SCHEMBL8257922 0.85 LMNA (0.45) LMNASHBGAKR1C3AKR1C2PDE2A
SCHEMBL30454596 0.84 LMNA (0.48) LMNASHBGAKR1C3AKR1C2PDE2A
SCHEMBL16560286 0.84 LMNA (0.48) LMNASHBGAKR1C3AKR1C2PDE2A
SCHEMBL808662 0.84 LMNA (0.48) LMNASHBGAKR1C3AKR1C2PDE2A
SCHEMBL14373886 0.84 LMNA (0.48) LMNASHBGAKR1C3AKR1C2PDE2A
SCHEMBL19050632 0.81 LMNA (0.40) LMNAMEN1KMT2ASHBGAKR1C3
SCHEMBL18713942 0.80 LMNA (0.42) LMNAMEN1KMT2ASHBGAKR1C3
SCHEMBL18406260 0.79 LMNA (0.44) LMNASHBGPDE2AADRB1ADRA2A
SCHEMBL12916560 0.78 TRPA1 (0.59) LMNAMEN1KMT2AADRB1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 LMNA 4745/4885MEN1 4450/4885KMT2A 1496/4885

“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.