SCHEMBL1868809

SCHEMBL1868809

CCCCCC(C)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 5/20 0.36
OPRM1 P35372 1/20 0.35
ALOX5 P09917 1/20 0.35
HDAC3 O15379 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16753024 0.98 MEN1 (0.40) KMT2AMEN1ALDH1A1OPRM1ALOX5
SCHEMBL12969165 0.94 KMT2A (0.38) KMT2AMEN1ALDH1A1ALOX5HDAC3
SCHEMBL222564 0.86 KMT2A (0.39) KMT2AMEN1ALDH1A1ALOX5L3MBTL1
SCHEMBL30323716 0.83 ALOX5 (0.38) KMT2AMEN1ALDH1A1ALOX5L3MBTL1
SCHEMBL7795384 0.82 KMT2A (0.43) KMT2AMEN1ALDH1A1HDAC3L3MBTL1
SCHEMBL5563836 0.81 MEN1 (0.33) KMT2AMEN1ALDH1A1ALOX5HDAC3
SCHEMBL18934219 0.81 MEN1 (0.41) KMT2AMEN1OPRM1HDAC3GAA
SCHEMBL2139138 0.81 KMT2A (0.50) KMT2AMEN1ALDH1A1HDAC3L3MBTL1
SCHEMBL30264728 0.81 KMT2A (0.42) KMT2AMEN1ALDH1A1HDAC3L3MBTL1
SCHEMBL8159767 0.81 MEN1 (0.41) KMT2AMEN1OPRM1HDAC3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362249-A Preparation method of spice 2-heptyl furan 北京福源坊科技有限公司 2024-01-09 CN claimed
CN-117362249-A Preparation method of spice 2-heptyl furan 北京福源坊科技有限公司 2024-01-09 CN disclosed
CN-117362249-A Preparation method of spice 2-heptyl furan 北京福源坊科技有限公司 2024-01-09 CN disclosed
CN-117362249-A Preparation method of spice 2-heptyl furan 北京福源坊科技有限公司 2024-01-09 CN disclosed
CN-112640962-B Butter base material and preparation method thereof 东莞波顿香料有限公司 2022-12-20 CN disclosed
CN-114672359-A Lubricating oil 山本香料株式会社 2022-06-28 CN disclosed
CN-112640962-A Butter base material and preparation method thereof 东莞波顿香料有限公司 2021-04-13 CN disclosed
CN-109689117-B Odor conversion method 山本香料株式会社 2021-03-30 CN disclosed
CN-111565764-A Odor conversion agent for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating, and odor conversion method for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating 山本香料株式会社 2020-08-21 CN disclosed
CN-111227218-A High-salt dilute oyster brewed soy sauce 中国海洋大学 2020-06-05 CN disclosed
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed
US-5618929-A INFRARED ABSORBING/VISIBLE WAVELENGTH TRANSPARENT; LANGMUIR-BLODGETT FILMS, LIQUID CRYSTAL DISPLAYS, OPTICAL RECORDING MEDIA THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1997-04-08 US disclosed
US-5506708-A LIQUID CRYSTALS, LANGMUIR-BLODGETT FILMS THE SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-09 US disclosed
EP-0346354-B1 SUBSTITUTED PHTHALOCYANINES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1992-08-19 EP disclosed
EP-0346354-A1 SUBSTITUTED PHTHALOCYANINES. SECR DEFENCE BRIT (GB) 1989-12-20 EP disclosed
WO-1988006175-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1988-08-25 WO 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF KMT2A 4559/4885MEN1 4180/4885ALDH1A1 4252/4885

“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.