SCHEMBL873797

SCHEMBL873797

CC1=C(O)C(=O)C(C(C)C)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NFE2L2 Q16236 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
Doconexent SCHEMBL23124260 0.75 ALDH1A1 (0.50) MAPTRAB9A
SCHEMBL24966387 0.72 TLR4 (0.36) TLR4NPC1MAPTRAB9ANFE2L2
SCHEMBL31603658 0.68 CYP19A1 (0.31) TLR4
SCHEMBL21436565 0.66
SCHEMBL2693006 0.66
SCHEMBL13875059 0.65
SCHEMBL23802579 0.64 MAPT (0.31) MAPT
SCHEMBL13801401 0.64 TLR4 (0.34) TLR4NPC1MAPTRAB9A
SCHEMBL21939672 0.63 TYR (0.31)
SCHEMBL3987055 0.63 TLR4 (0.33) TLR4

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 206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP claimed
US-20220202739-A1 ENDOCANNABINOID MIMETIC AND ANTI-INFLAMMATORY COMPOUND CONTAINING COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF PHARMA COSMETIX RES LLC (US) 2022-06-30 US claimed
WO-2021055785-A1 ENDOCANNABINOID MIMETIC AND ANTI-INFLAMMATORY COMPOUND CONTAINING COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF PHARMA COSMETIX RESEARCH, LLC (US) 2021-03-25 WO claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
US-8592621-B2 Precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease SYMRISE AG (DE) 2013-11-26 US claimed
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE SYMRISE GMBH CO. KG (DE) 2011-02-24 US claimed
US-20070166341-A1 Solid volatile composition and method and system for making the same INTERNATIONAL ARTS & SCIENCE GROUP, INC. 2007-07-19 US claimed
WO-2006087039-A1 BROAD SPECTRUM ANTI VIRAL HERBAL COMPOSITION PROPHAREX SA (BE) 2006-08-24 WO claimed
EP-0984683-A2 MEANS AMD METHOD FOR PEST CONTROL OCTROOIBUREAU KISCH N.V. (AN) 2000-03-15 EP claimed
WO-1998053678-A2 MEANS AMD METHOD FOR PEST CONTROL OCTROOIBUREAU KISCH N. V. (AN) 1998-12-03 WO claimed
US-5618982-A SIMPLE INDUSTRIAL PROCESS OF CATALYZING IN PRESENCE OF METALLIC PHOSPHATES RHONE-POULENC CHIMIE (FR) 1997-04-08 US claimed
JP-2131561-A None JP disclosed
JP-1135711-A None JP disclosed
JP-62273934-A None JP disclosed
JP-62273934-A None JP disclosed
JP-S62181212-A COMPOSITION FOR ORAL CAVITY LION CORP 1987-08-08 JP disclosed
US-4463184-A Process for the preparation of carbofuran UNION CARBIDE CORPORATION (US) 1984-07-31 US disclosed
EP-0107399-A1 Improved process for the preparation of carbofuran UNION CARBIDE CORPORATION (US) 1984-05-02 EP disclosed
US-4032478-A PERFUME COMPOSITIONS CONTAINING P-MENTHANE-8-THIOL-3-ONE GIVAUDAN CORPORATION (US) 1977-06-28 US disclosed
US-3954963-A SLOW-RELEASE, POLYVINYL ACETAL RESINS, GELS, OXYGENATED TERPENES SHELL OIL COMPANY (US) 1976-05-04 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-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE TAS1R2, TAS2R5, TAS2R1 TLR4 467/4885NPC1 1823/4885MAPT 3623/4885

“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.