SCHEMBL22714005

SCHEMBL22714005

COc1ccc(CC(=O)c2ccccc2)cc1OCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
PDE4B Q07343 16/20 0.54
PDE4A P27815 4/20 0.54
PDE4C Q08493 4/20 0.54
PDE4D Q08499 4/20 0.54
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL29259224 0.88 NPC1 (0.56) NPC1LMNAHTTPDE4BPDE4A
SCHEMBL570575 0.84 LMNA (0.75) NPC1LMNAHTTCYP1A2CYP3A4
SCHEMBL28968086 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL13412905 0.81 CA5A (0.57) NPC1PDE4BPDE4APDE4CPDE4D
SCHEMBL17980660 0.80 LMNA (0.58) NPC1LMNAHTTPDE4BPDE4A
SCHEMBL28325671 0.79 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL28324553 0.79 PDE4B (0.56) NPC1LMNAHTTPDE4BPDE4A
SCHEMBL29259233 0.78 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL30601064 0.78 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL1031663 0.78 CA12 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777979-B1 ANTI-INFLAMMATORY COMPOUND AND PREPARATION AND USE THEREOF E NITIATE BIOPHARMACEUTICALS HANGZHOU CO LTD (CN) 2024-01-17 EP disclosed
US-11440886-B2 Anti-inflammatory compound, and preparation and use thereof E-nitiate Biopharmaceuticals (Hangzhou) Co., Ltd. (CN) 2022-09-13 US disclosed
EP-3777979-A1 ANTI-INFLAMMATORY COMPOUND AND PREPARATION AND USE THEREOF Vivavision Biotech, Inc. (CN) 2021-02-17 EP disclosed
US-20200377460-A1 ANTI-INFLAMMATORY COMPOUND, AND PREPARATION AND USE THEREOF VIVAVISION BIOTECH, INC. (CN) 2020-12-03 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-11440886-B2 Anti-inflammatory compound, and preparation and use thereof PDE4B, PDE4A, PDE7A NPC1 4359/4885LMNA 3960/4885HTT 4831/4885
US-20200377460-A1 ANTI-INFLAMMATORY COMPOUND, AND PREPARATION AND USE THEREOF PDE4B, PDE4A, PDE7A NPC1 4359/4885LMNA 3960/4885HTT 4831/4885

“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.