SCHEMBL51017

SCHEMBL51017

c1ccc(COB(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.50
ALDH1A1 P00352 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CALM1 P0DP23 1/20 0.43
LIPE Q05469 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL3893963 0.85 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL3080694 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL17333443 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL2025672 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6987582 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
Boric Acid SCHEMBL28556682 0.77 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL4255626 0.75 TSHR (0.54) TSHRIDO1AGXTLMNAL3MBTL1
SCHEMBL6132101 0.75 IDO1 (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL933492 0.75 LIPE (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL22006983 0.75 IDO1 (0.50) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137571-A Biological safety type silane modified MS sealant for container 安徽欣苗新材料科技有限公司 2025-06-13 CN claimed
CN-116284784-B Preparation method of recyclable orthogonal dynamic covalent fluorescent polymer material 华东理工大学 2025-05-27 CN claimed
CN-120025356-A Method for synthesizing acyl trifluoro borate compound through benzyl borate compound and application thereof 华东师范大学 2025-05-23 CN claimed
CN-119775293-A Chiral benzyl borate compound and preparation method of chiral hydroxyl compound thereof 湖北工程学院 2025-04-08 CN claimed
US-12262626-B2 Thermosetting liquid composition for encapsulant in organic light-emitting device INNOX ADVANCED MATERIALS CO., LTD. (KR) 2025-03-25 US claimed
CN-117777171-A Preparation method and application of chiral benzyl borate 浙江理工大学嵊州创新研究院有限公司 2024-03-29 CN claimed
CN-113735889-B Process method for synthesizing cyclopropylboric acid 大连双硼医药化工有限公司 2024-03-26 CN claimed
CN-116284784-A Preparation method of recyclable orthogonal dynamic covalent fluorescent polymer material 华东理工大学 2023-06-23 CN claimed
CN-116253755-A Synthesis method of diaryl borate compound 湖南大学 2023-06-13 CN claimed
CN-113929712-B Simple preparation method of benzyl borate compound 山东大学 2022-11-18 CN claimed
CN-110790661-A Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide 北京大学 2020-02-14 CN claimed
CN-109994777-A Electrolyte solution and secondary battery 宁德时代新能源科技股份有限公司 2019-07-09 CN claimed
US-20180244700-A1 METHODS OF TREATING A FATTY ACID AMIDE HYDROLASE-MEDIATED CONDITION INFINITY PHARMACEUTICALS, INC. 2018-08-30 US claimed
US-20150239912-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS INFINITY PHARMACEUTICALS, INC. 2015-08-27 US claimed
EP-2531511-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS Infinity Pharmaceuticals, Inc. (US) 2012-12-12 EP claimed
US-20110201574-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS INFINITY PHARMACEUTICALS, INC. 2011-08-18 US claimed
WO-2011097233-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2011-08-11 WO claimed
CN-100374533-C lubricant composition for sewing machine NIPPON STEEL CHEMICAL CO (JP) 2008-03-12 CN claimed
EP-0942028-B1 Epoxy resin composition AJINOMOTO KK (JP) 2004-11-24 EP claimed
US-6232426-B1 BLEND CONTAINING A THIOL, COMPOUND, LATENT CURING AGENT AND BORATE EATER AJINOMOTO CO., INC. (JP) 2001-05-15 US 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 (3 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-20110201574-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, FASN TSHR 2597/4885IDO1 1106/4885AGXT 210/4885
US-20180244700-A1 METHODS OF TREATING A FATTY ACID AMIDE HYDROLASE-MEDIATED CONDITION FAAH, FAAH2, FASN TSHR 2480/4885IDO1 780/4885AGXT 190/4885
US-20150239912-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, FASN TSHR 2597/4885IDO1 1106/4885AGXT 210/4885

“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.