SCHEMBL245113

SCHEMBL245113

O=C(O)COCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 6/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CTH P32929 1/20 0.38
CBS P35520 1/20 0.38
THPO P40225 1/20 0.38
CAMK2A Q9UQM7 1/20 0.32
EPHX2 P34913 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS1 P23219 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
SCHEMBL28250664 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL17807067 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3545311 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4150786 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5243510 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2864476 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3545968 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL14312417 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4163075 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3548961 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058259-A1 COMPOSITIONS COMPRISING ESSENTIAL OILS FIRMENICH SA (CH) 2024-02-22 US claimed
CN-117481384-A Nicotine composition pouch and method of making same 麦丰(珠海)科技有限公司 2024-02-02 CN claimed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO claimed
EP-3996506-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP claimed
EP-3996505-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP claimed
WO-2021071896-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-15 WO claimed
WO-2021071898-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-15 WO claimed
US-20210100245-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-08 US claimed
US-20210100242-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-08 US claimed
US-20200188289-A1 COMPOSITIONS COMPRISING ESSENTIAL OILS FIRMENICH SA (CH) 2020-06-18 US claimed
EP-3624757-A1 COMPOSITIONS COMPRISING ESSENTIAL OILS Firmenich SA (CH) 2020-03-25 EP claimed
CN-110621287-A Composition comprising essential oils 弗门尼舍有限公司 2019-12-27 CN claimed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US claimed
WO-2018211420-A1 COMPOSITIONS COMPRISING ESSENTIAL OILS FIRMENICH SA (CH) 2018-11-22 WO claimed
US-20140348756-A1 WATER-FREE FORMULATIONS HAVING A COOLING EFFECT HENKEL AG & CO. KGAA (DE) 2014-11-27 US claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-20110195042-A1 Compositions, Methods and Kits Useful for Treating a Respiratory Symptom THE PROCTER & GAMBLE COMPANY 2011-08-11 US claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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 (6 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-20210100242-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS ACHE, NISCH, DDT MEN1 704/4885KMT2A 2480/4885TSHR 3934/4885
US-20210100245-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS NOTUM, SGMS1, COASY MEN1 1367/4885KMT2A 2193/4885TSHR 4077/4885
US-20110195042-A1 Compositions, Methods and Kits Useful for Treating a Respiratory Symptom MUC1, TAS2R42, TAS2R7 MEN1 1803/4885KMT2A 4278/4885TSHR 4034/4885
US-20140348756-A1 WATER-FREE FORMULATIONS HAVING A COOLING EFFECT CUTA, RDX, POLR1C MEN1 3796/4885KMT2A 2689/4885TSHR 2588/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 MEN1 1052/4885KMT2A 3630/4885TSHR 2580/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 MEN1 2133/4885KMT2A 984/4885TSHR 4285/4885

“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.