SCHEMBL6748375

SCHEMBL6748375

CCCCCCCCCCC1=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
PTGS2 P35354 4/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 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
SCHEMBL6748326 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL6750444 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL6750456 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL6748300 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL6751772 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL1753858 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL1754051 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL6752031 1.00 TSHR (0.42) TSHRTHRBPTGS2ESR1ADRA2A
SCHEMBL1754426 0.97
Diethylamine SCHEMBL6750381 0.89 TSHR (0.36) TSHRTHRBPTGS2ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233669-B1 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2004-02-25 EP claimed
EP-1233669-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2002-08-28 EP claimed
US-6365549-B2 PRESERVATION NORTH CAROLINA STATE UNIVERSITY 2002-04-02 US claimed
US-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives NORTH CAROLINA STATE UNIVERSITY 2001-09-06 US claimed
WO-2001037663-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2001-05-31 WO claimed
EP-0376042-B1 Improved chemical process for preparing antibiotic L 17392 (deglucoteicoplanin) and its salts LEPETIT SPA (IT) 1996-03-13 EP claimed
CN-108410258-B Sun-proof gravure printing ink 湖北中烟工业有限责任公司 2021-08-27 CN disclosed
CN-112174858-A Beta-naphthalenesulfonic acid and refining method, filtrate and application thereof 安徽生源化工有限公司 2021-01-05 CN disclosed
US-9072293-B2 Cyclopropenes and method for applying cyclopropenes to agricultural products or crops ERUM BIOTECHNOLOGIES INC. (KR) 2015-07-07 US disclosed
CN-102843906-B Cyclopropene compounds and methods of adding the compounds to agricultural crops ERUM BIOTECHNOLOGIES INC 2015-07-01 CN disclosed
EP-2561754-A2 CYCLOPROPENE COMPOUND, AND METHOD FOR ADDING SAME TO CROPS Erum Biotechnologies Inc. (KR) 2013-02-27 EP disclosed
CN-102843906-A Cyclopropene compounds and methods of adding the compounds to agricultural crops ERUM BIOTECHNOLOGIES INC 2012-12-26 CN disclosed
US-20120322662-A1 CYCLOPROPENES AND METHOD FOR APPLYING CYCLOPROPENES TO AGRICULTURAL PRODUCTS OR CROPS ERUM BIOTECHNOLOGIES INC. (KR) 2012-12-20 US disclosed
EP-0381149-B1 Optically active compound, liquid crystal composition and liquid crystal device comprising same SHARP KK (JP) 1996-03-27 EP disclosed
EP-0381149-A2 Optically active compound, liquid crystal composition and liquid crystal device comprising same SHARP KABUSHIKI KAISHA (JP) 1990-08-08 EP disclosed
US-4297284-A BY THE CYCLIZATION OF ISOBUTENYL-PYROCATECHOL OR A MIXTURE WITH METHALLYLPYROCATECHOL USING A SULFONIC ACID CATALYST RHONE-POULENC AGROCHIMIE (FR) 1981-10-27 US disclosed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US 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 (2 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-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives PRUNE1, NOTUM, FAR1 TSHR 2454/4885THRB 1839/4885PTGS2 204/4885
US-20120322662-A1 CYCLOPROPENES AND METHOD FOR APPLYING CYCLOPROPENES TO AGRICULTURAL PRODUCTS OR CROPS GLA, PFAS, AMY1A TSHR 1706/4885THRB 3693/4885PTGS2 162/4885

“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.