SCHEMBL21350488

SCHEMBL21350488

Cc1c(F)cc(C(C)C)cc1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
DUT P33316 4/20 0.35
ACACB O00763 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CNR2 P34972 2/20 0.34
RIPK1 Q13546 1/20 0.34
DHFR P00374 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
OPRK1 P41145 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
SCHEMBL21325097 0.82 CNR2 (0.39) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL20201732 0.81 DCPS (0.38) HTR2AHTR2CHTR2BRIPK1
SCHEMBL879007 0.80 DUT (0.47) PDE4BDUT
SCHEMBL11951596 0.80 ACACB (0.45) PDE4BPDE4APDE4CPDE4DDUT
SCHEMBL21350697 0.78 CNR2 (0.39) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL20376259 0.76 RIPK1 (0.40) DUTHTR2AHTR2CHTR2BCNR2
SCHEMBL25053730 0.75 DUT (0.43) DUT
SCHEMBL20201628 0.75 ACACB (0.41) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL20204598 0.75 DUT (0.43) DUT
SCHEMBL20376266 0.75 ACACB (0.41) PDE4BPDE4APDE4CPDE4DACACB

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
US-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-11-10 US disclosed
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-12 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-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors DUT, DPYD, TYMP PDE4B 2599/4885PDE4A 2618/4885PDE4C 2320/4885
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, DPYD, TYMP PDE4B 2599/4885PDE4A 2618/4885PDE4C 2320/4885

“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.