SCHEMBL8205330

SCHEMBL8205330

CC(=O)OCC1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 5/20 0.40
PTGS2 P35354 5/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP3 Q96P20 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10824823 0.95 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL4347324 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL14479079 0.78 HMGCR (0.41) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL19283269 0.78 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL6857749 0.77 NLRP3 (0.36) NPC1RAB9ASMN1; SMN2LMNANLRP3
SCHEMBL8021615 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL8020977 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL8026467 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL18014854 0.77 HCAR2 (0.39) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL18014878 0.77 HCAR2 (0.43) NPC1RAB9ASMN1; SMN2LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
CN-1268937-A Novel compound having effect of promoting neuron differentiation NIPPON KAYAKU KK (JP) 2000-10-04 CN disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed
CN-1210515-A 2,3-disubstituted cyclopentanone derivatives, process for producing the same, and medicinal use thereof NIPPON KAYAKU KK (JP) 1999-03-10 CN 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D NPC1 3069/4885RAB9A 993/4885SMN1; SMN2 3836/4885

“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.