SCHEMBL727954

SCHEMBL727954

C=C(C)C1CCC(C)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 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
SCHEMBL30255209 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL13910300 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067705 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067706 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL10028630 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067707 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL7741357 0.83 TLR4 (0.35) TLR4
SCHEMBL11825966 0.81 TLR4 (0.37) TLR4
SCHEMBL29595955 0.77 TLR4 (0.34) TLR4ALDH1A1
SCHEMBL29595225 0.77 TLR4 (0.34) TLR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975726-A Sauce-flavor white spirit flavor essential oil, electronic cigarette liquid and preparation method thereof 比亚迪精密制造有限公司 2023-04-18 CN claimed
CN-115769910-A Electronic cigarette essential oil, electronic cigarette liquid and preparation method of electronic cigarette liquid 比亚迪精密制造有限公司 2023-03-10 CN claimed
EP-3996505-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP claimed
EP-3996506-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP claimed
CN-114350764-A Method for establishing influence of interacting protein on phytoplasma transmission through RNAi 黑龙江省农业科学院水稻研究所 2022-04-15 CN claimed
CN-114354941-A Method for establishing circulating transmission of phytoplasma between medium and plant through immune marking 黑龙江省农业科学院水稻研究所 2022-04-15 CN claimed
CN-114295834-A Method for establishing interaction between phytoplasma and tubulin through co-immunoprecipitation 黑龙江省农业科学院水稻研究所 2022-04-08 CN claimed
CN-114129616-A Atomized liquid containing cordyceps militaris extract and rosemary extract and application thereof 深圳晨雾健康科技有限公司 2022-03-04 CN claimed
CN-114028435-A Atomized liquid containing cordyceps militaris extract and application thereof 深圳晨雾健康科技有限公司 2022-02-11 CN claimed
CN-108489497-B Safe navigation aiding method for preventing reef touch by using map 何竹君 2021-07-30 CN claimed
CN-101735120-A Synthesis method of thio-menthone perfume HUABAO FOOD FLAVORS AND FRAGRA 2010-06-16 CN claimed
US-7468463-B2 Method for producing optically active carbonyl compounds BASF AG (DE) 2008-12-23 US claimed
US-20070218178-A1 MINT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-09-20 US claimed
US-20070191644-A1 Method for producing optically active carbonyl compounds BASF AKTIENGESELLSCHAFT (DE) 2007-08-16 US claimed
EP-1725512-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP claimed
US-7029692-B1 Transdermal therapeutic system with nicotine and addition of monoterpene ketones LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2006-04-18 US claimed
WO-2005085160-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 WO claimed
EP-1164996-B1 TRANSDERMAL THERAPEUTIC SYSTEM WITH NICOTINE AND ADDITION OF MONOTERPENE KETONES LOHMANN THERAPIE SYST LTS (DE) 2003-10-22 EP claimed
US-6063383-A Pharmaceutical suppository composites for fever and influenza and method of producing the composites HSU WU-CHING (TW) 2000-05-16 US claimed
WO-1995007807-A2 METHODS AND COMPOSITIONS ADDRESSING SAPSTAIN, WOOD DEGRADATION, AND PESTS AFFECTING WOOD THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LIMITED (NZ) 1995-03-23 WO claimed

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-20070191644-A1 Method for producing optically active carbonyl compounds ADH1C, ADH5, ADH1A TLR4 4136/4885MEN1 2927/4885ALDH1A1 7/4885

“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.