SCHEMBL3736992

SCHEMBL3736992

O=Cc1ccc(OCC2CC2)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
PDE4B Q07343 6/20 0.41
HPGD P15428 2/20 0.41
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
XDH P47989 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.38
APP P05067 1/20 0.37
POLB P06746 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13232716 0.84 DRD2 (0.47) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL637014 0.81 FDPS (0.67) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL20748342 0.81 PDE4B (0.46) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL7373295 0.81 PDE4B (0.56) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL3642519 0.80 ALDH1A1 (0.47) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL4605658 0.80 PDE4B (0.41) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL30352601 0.78 ALDH1A1 (0.62) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL3724758 0.78 SLC6A4 (0.43) XDHCNR2
SCHEMBL498127 0.78 ALDH1A1 (0.62) FDPSPDE4BHPGDPDE4APDE4C
SCHEMBL832611 0.78 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC FDPS 116/4885PDE4B 2921/4885HPGD 672/4885

“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.