SCHEMBL29319716

SCHEMBL29319716

O=C(Oc1cc(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL474387 0.92 CES2 (0.39) CES2CES1CA1CA2CA4
SCHEMBL31006941 0.80 CYP4F2 (0.47) CES2CES1LMNAHTTKDM4E
SCHEMBL823844 0.80 CYP4F2 (0.47) CES2CES1LMNAHTTKDM4E
SCHEMBL2153565 0.79 CA1 (0.44) CES2CES1CA1CA2CA4
SCHEMBL34317 0.78 CA1 (0.36) CA1CA2HTTL3MBTL1TSHR
SCHEMBL20156673 0.78 CES2 (0.38) CES2CES1CA1CA2CA4
SCHEMBL31613088 0.76 MEN1 (0.38) CES2CES1CA1CA2CA4
SCHEMBL11602464 0.76 FAAH (0.42) LMNAKDM4EMAPT
SCHEMBL29671299 0.76 ELANE (0.44) LMNAMAPT
SCHEMBL10181746 0.76 ALOX15 (0.42) CES2CES1LMNAMAPK1HTT

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 CES2 268/4885CES1 29/4885CA1 3878/4885

“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.