SCHEMBL8336178

SCHEMBL8336178

CC1CCC(C(C)(C)C)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.35
CRBN Q96SW2 1/20 0.31

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
SCHEMBL19296599 0.83 TLR4 (0.33) TLR4
SCHEMBL712399 0.83 TLR4 (0.33) TLR4
SCHEMBL31278453 0.83 TLR4 (0.33) TLR4
SCHEMBL111047 0.83 TLR4 (0.33) TLR4
SCHEMBL15368049 0.83 TLR4 (0.33) TLR4
SCHEMBL11033610 0.83 TLR4 (0.33) TLR4
SCHEMBL901213 0.83 TLR4 (0.33) TLR4
SCHEMBL31277753 0.83 TLR4 (0.33) TLR4
SCHEMBL31278068 0.83 TLR4 (0.33) TLR4
SCHEMBL6902851 0.83 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213922-A1 PRECURSORS FOR THE CONTROLLED RELEASE OF α,β-UNSATURATED ALDEHYDES OR KETONES AND OTHER HIGH IMPACT FRAGRANCE SUBSTANCES SYMRISE AG (DE) 2023-11-09 WO disclosed
US-20150306073-A1 THIOREDOXIN PROTEIN INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2015-10-29 US disclosed
US-5908944-A COPPER COMPOUND CATALYST SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
US-5908945-A COPPER COMPOUND AND SILYL REAGENT AS CATALYSTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
US-5759528-A AMINE OXIDE SURFACTANT AND CYCLOHEXANE, CYCLOHEXENE OR CYCLOHEXANONE DERIVATIVE INSTITUTE FOR ADVANCED SKIN RESEARCH, INC. (JP) 1998-06-02 US disclosed
EP-0691974-B1 ALKYLATING AGENT AND 1,4-ADDITION PROCESS OF AN ALKYL GROUP ONTO AN ALPHA, BETA-UNSATURATED KETONE COMPOUND SCHERING AG (DE) 1997-05-07 EP disclosed
EP-0534582-B1 Methylation or ethylation agent and process for an 1,4-addition of a methyl- or ethylgroup to an alpha, beta-insaturated ketogroup SCHERING AG (DE) 1997-01-08 EP disclosed
EP-0745389-A1 COMPOSITION FOR TOPICAL APPLICATION INSTITUTE FOR ADVANCED SKIN RESEARCH INC. (JP) 1996-12-04 EP disclosed
EP-0691974-A1 ALKYLATING AGENT AND 1,4-ADDITION PROCESS OF AN ALKYL GROUP ONTO AN ALPHA, BETA-UNSATURATED KETONE COMPOUND SCHERING AG (DE) 1996-01-17 EP disclosed
WO-1994022878-A1 ALKYLATING AGENT AND 1,4-ADDITION PROCESS OF AN ALKYL GROUP ONTO AN ALPHA, BETA-UNSATURATED KETONE COMPOUND SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
WO-1993006066-A1 METHYLATING OR ETHYLATING AGENT AND PROCESS FOR 1,4-ADDING A METHYL OR ETHYL GROUP TO AN α,β-UNSATURATED KETO COMPOUND __ SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed
EP-0534582-A1 Methylation or ethylation agent and process for an 1,4-addition of a methyl- or ethylgroup to an alpha, beta-insaturated ketogroup SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-31 EP 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-20150306073-A1 THIOREDOXIN PROTEIN INHIBITORS AND USES THEREOF TXN, TXN2, TXNL1 TLR4 2420/4885CRBN 1169/4885

“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.