SCHEMBL25337360

SCHEMBL25337360

O=C(O)c1cc(F)c(F)c(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PTGER1 P34995 3/20 0.58
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
BRD4 O60885 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL17191962 0.90 MRGPRX4 (0.58) MRGPRX4MEN1KMT2APTGER1NR4A2
SCHEMBL1936167 0.85 MRGPRX4 (0.57) MRGPRX4MEN1KMT2APTGER1BRD4
SCHEMBL229472 0.83 MRGPRX4 (0.69) MRGPRX4MEN1KMT2APTGER1NR4A2
SCHEMBL31197222 0.83 PTGER1 (0.71) MRGPRX4MEN1KMT2APTGER1NR4A2
SCHEMBL5605127 0.83 PTGER1 (0.71) MRGPRX4MEN1KMT2APTGER1NR4A2
SCHEMBL2291970 0.83 MRGPRX4 (0.57) MRGPRX4MEN1KMT2APTGER1NPC1
SCHEMBL1766201 0.83 RXRA (0.55) MRGPRX4MEN1KMT2APTGER1BRD4
SCHEMBL15969027 0.83 MEN1 (0.63) MRGPRX4MEN1KMT2APTGER1NR4A2
SCHEMBL30307916 0.81 MEN1 (0.61) MRGPRX4MEN1KMT2APTGER1NR4A2
SCHEMBL4876543 0.81 MEN1 (0.61) MRGPRX4MEN1KMT2APTGER1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072517-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 WO 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-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 MRGPRX4 4156/4885MEN1 3193/4885KMT2A 3736/4885

“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.