SCHEMBL4773759

SCHEMBL4773759

CCOC1=CC(=O)C(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ACHE P22303 1/20 0.36
PGR P06401 1/20 0.35
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.31
CYP19A1 P11511 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
SCHEMBL13039618 0.83 NPC1 (0.41) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL16321464 0.81 PLA2G7 (0.32)
SCHEMBL10974043 0.80 NPC1 (0.46) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL10973763 0.77 NPC1 (0.61) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL10972004 0.77 NPC1 (0.35) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL13823454 0.77 NPC1 (0.35) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL28969730 0.76 EPHX1 (0.33)
SCHEMBL10972981 0.75 NPC1 (0.51) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL10970812 0.75 NPC1 (0.42) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL3363996 0.74 NPC1 (0.33) NPC1RAB9ACASP3SENP8NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
EP-1608612-B1 PROCESS FOR PRODUCING CYCLOHEXENONE LONG-CHAIN ALCOHOLS MEIJI DAIRIES CORP (JP) 2008-02-27 EP disclosed
US-7235700-B2 cyclohexenone long-chain alcohol has a low molecular weight and is known to be useful as a prophylactic or therapeutic drug for cerebral diseases such as dementia MEIJI DAIRIES CORPORATION (JP) 2007-06-26 US disclosed
US-20060135818-A1 Process for producing cyclohexenone long-chain alcohols MEIJI DAIRIES CORPORATION 2006-06-22 US disclosed
EP-1608612-A1 PROCESS FOR PRODUCING CYCLOHEXENONE LONG-CHAIN ALCOHOLS Meiji Dairies Corporation (JP) 2005-12-28 EP disclosed
WO-2004087630-A1 PROCESS FOR PRODUCING CYCLOHEXENONE LONG-CHAIN ALCOHOLS MEIJI DAIRIES CORPORATION (JP) 2004-10-14 WO disclosed
US-4546104-A Pyrazolopyridine cycloalkanones and process for their preparation ICI AMERICAS INC. (US) 1985-10-08 US disclosed
EP-0141608-A2 Pyrazolopyridine cycloalkanone derivatives ICI AMERICAS INC. (US) 1985-05-15 EP disclosed
US-4391827-A 3-(2-Hydroxy-4-(substituted)phenyl)-cycloalkanone and cycloalkanol analgesic agents and intermediates therefor PFIZER INC. (US) 1983-07-05 US disclosed
US-4306097-A 3-[2-Hydroxy-4-(substituted)phenyl]-cycloalkanol analgesic agents PFIZER INC. (US) 1981-12-15 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-20060135818-A1 Process for producing cyclohexenone long-chain alcohols ADH1C, ADH1A, HACD2 NPC1 2446/4885RAB9A 4300/4885CASP3 1670/4885
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ACKR3, CCR7, CCR2 NPC1 505/4885RAB9A 785/4885CASP3 3569/4885

“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.