SCHEMBL21690290

SCHEMBL21690290

C[C@@H](O)c1ccc(F)c(OC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ APP P05067 1/20 0.43
▸ DUT P33316 1/20 0.42
▸ PDE4A P27815 11/20 0.40
▸ PDE4B Q07343 3/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13091309 0.88 DUT (0.44) PTGS1PTGS2APPDUTPDE4A
SCHEMBL16203391 0.86 APP (0.43) PTGS1PTGS2APPDUTPDE4A
SCHEMBL12094255 0.85 APP (0.43) PTGS1PTGS2APPDUTPDE4A
SCHEMBL21533928 0.84 DUT (0.41) PTGS1PTGS2APPDUTPDE4A
Hydrochloric Acid SCHEMBL22723239 0.84 APP (0.42) PTGS1PTGS2APPDUTPDE4A
Hydrochloric Acid SCHEMBL22723238 0.84 APP (0.42) PTGS1PTGS2APPDUTPDE4A
SCHEMBL22170165 0.82 DUT (0.48) PTGS1PTGS2APPDUTPDE4A
SCHEMBL15247548 0.82 DUT (0.48) PTGS1PTGS2APPDUTPDE4A
SCHEMBL5610531 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL13091258 0.81 HTR2C (0.39) DUTPDE4AGRIN1GRIN2B

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-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 — — US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 — — 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-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT PTGS1 3371/4885PTGS2 3624/4885APP 4016/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT PTGS1 3371/4885PTGS2 3624/4885APP 4016/4885

“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.

Send feedback