SCHEMBL8323357

SCHEMBL8323357

OC1(O)CCCCC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TRPA1 O75762 1/20 0.43
SLC18A3 Q16572 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 9/20 0.41
MAOA P21397 8/20 0.41
MAOB P27338 8/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28766998 0.81 SLC18A3 (0.55) TSHRTRPA1SLC18A3KDM1AMAOA
SCHEMBL1535881 0.79 SLC6A9 (0.43) TSHRTRPA1SLC18A3MEN1KMT2A
SCHEMBL8720460 0.79 KDM1A (0.42) TSHRTRPA1SLC18A3KDM1AMAOA
SCHEMBL23646574 0.78 AKR1C1 (0.42) TSHRTRPA1SLC18A3MEN1KMT2A
SCHEMBL151522 0.78 TSHR (0.41) TSHRTRPA1SLC18A3ALDH1A1GAA
SCHEMBL9508537 0.78 TSHR (0.41) TSHRTRPA1SLC18A3MEN1KMT2A
SCHEMBL4989697 0.77 KDM1A (0.45) TSHRTRPA1SLC18A3KDM1AMAOA
SCHEMBL1033763 0.77 TSHR (0.40) TSHRTRPA1SLC18A3KDM1AMAOA
SCHEMBL29895223 0.77 TSHR (0.40) TSHRTRPA1SLC18A3MEN1KMT2A
SCHEMBL11476007 0.77 TRPA1 (0.41) TSHRTRPA1SLC18A3KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11030588-A None JP disclosed
CN-112898738-B Epoxy resin composition, prepreg, laminate, printed wiring board, and cured product using same 日铁化学材料株式会社 2024-03-22 CN disclosed
US-11926605-B2 Functionalized bifuran and synthesis thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-03-12 US disclosed
CN-112898738-A Epoxy resin composition, prepreg, laminate, printed wiring board, and cured product using same 日铁化学材料株式会社 2021-06-04 CN disclosed
EP-3768760-A1 FUNCTIONALIZED BIFURAN AND SYNTHESIS THEREOF ExxonMobil Chemical Patents Inc. (US) 2021-01-27 EP disclosed
US-20210009545-A1 Functionalized Bifuran and Synthesis Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2021-01-14 US disclosed
WO-2020162533-A1 POLYCARBONATE RESIN COMPOSITION AND OPTICAL LENS USING THIS 三菱瓦斯化学株式会社 2020-08-13 WO disclosed
WO-2020116629-A1 POLYBUTYLENE TEREPHTHALATE RESIN COMPOSITION AND DOUBLE-MOLDED ARTICLE ポリプラスチックス株式会社 2020-06-11 WO disclosed
WO-2019182693-A1 FUNCTIONALIZED BIFURAN AND SYNTHESIS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-09-26 WO disclosed
US-9464166-B2 Production and use of 3,4' and 4,4'-dimethylbiphenyl isomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-11 US disclosed
WO-2015112252-A1 PRODUCTION AND USE OF 3,4' AND 4,4'-DIMETHYLBIPHENYL ISOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-30 WO disclosed
US-20150080546-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers EXXONMOBIL CHEMICAL PATENTS INC. 2015-03-19 US disclosed
US-20150080545-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers EXXONMOBIL CHEMICAL PATENTS INC. 2015-03-19 US disclosed
US-8592634-B2 Process for producing phenol EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-11-26 US disclosed
US-20110301387-A1 Process For Producing Phenol EXXONMOBIL CHEMICAL PATENTS INC. 2011-12-08 US disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
JP-H1130588-A METHOD FOR DETECTING ION WITH USING CIRCULAR DICHROIC SPECTROCHEMICAL ANALYSIS SHIMADZU CORP 1999-02-02 JP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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 (5 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-20150080546-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers CYP4B1, HPD, DDT TSHR 2250/4885TRPA1 1234/4885SLC18A3 2904/4885
US-11926605-B2 Functionalized bifuran and synthesis thereof PARG, PUF60, PARP1 TSHR 3423/4885TRPA1 3896/4885SLC18A3 4854/4885
US-20150080545-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers CYP4B1, HPD, DDT TSHR 2250/4885TRPA1 1234/4885SLC18A3 2904/4885
US-20110301387-A1 Process For Producing Phenol NOX4, CYP2E1, SCO2 TSHR 3296/4885TRPA1 1603/4885SLC18A3 4273/4885
US-20210009545-A1 Functionalized Bifuran and Synthesis Thereof PARG, PUF60, PARP1 TSHR 3442/4885TRPA1 3871/4885SLC18A3 4856/4885

“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.