SCHEMBL467691

SCHEMBL467691

N#CC(O)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.62
ESR2 Q92731 12/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ACHE P22303 1/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43

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
SCHEMBL4319988 1.00 ESR1 (0.62) ESR1ESR2TSHRALDH1A1MEN1
SCHEMBL7262475 1.00 ESR1 (0.62) ESR1ESR2TSHRALDH1A1MEN1
SCHEMBL6056000 0.91 TSHR (0.79) ESR1ESR2TSHRALDH1A1MEN1
SCHEMBL6689869 0.78 TSHR (0.60) ESR1ESR2TSHRCYP1A2CYP2C19
SCHEMBL6908022 0.78 TSHR (0.60) ESR1ESR2TSHRALDH1A1KMT2A
SCHEMBL8019231 0.78 TSHR (0.60) ESR1ESR2TSHRALDH1A1MEN1
SCHEMBL199580 0.78 TSHR (0.60) ESR1ESR2TSHRALDH1A1KMT2A
SCHEMBL2164185 0.78 TSHR (0.60) ESR1ESR2TSHRCYP1A2CYP2C19
SCHEMBL8020863 0.78 TSHR (0.60) ESR1ESR2TSHRALDH1A1MEN1
SCHEMBL6688835 0.78 TSHR (0.60) ESR1ESR2TSHRALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117169388-A Method for predicting optimal recovery period of Chinese yam by using marker metabolite model based on machine learning 河南省农业科学院农产品质量安全研究所 2023-12-05 CN claimed
CN-112888498-B Composition useful for making acid gas separation membranes 住友化学株式会社 2023-07-14 CN claimed
EP-3862072-A1 COMPOSITION USEFUL FOR PRODUCTION OF ACIDIC GAS SEPARATION MEMBRANE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-08-11 EP claimed
CN-112888498-A Composition useful for producing acid gas separation membranes 住友化学株式会社 2021-06-01 CN claimed
WO-2020071411-A1 COMPOSITION USEFUL FOR PRODUCTION OF ACIDIC GAS SEPARATION MEMBRANE 住友化学株式会社 2020-04-09 WO claimed
EP-1649029-B1 A METHOD OF PRODUCING A LOW MOLECULAR WEIGHT PLANT SECONDARY METABOLITE IN A YEAST CELL EVOLVA SA (CH) 2014-12-17 EP claimed
EP-1234046-B1 UDP-GLUCOSE:AGLYCON-GLUCOSYLTRANSFERASE ADELAIDE RES & INNOVATION PTY (AU) 2008-11-12 EP claimed
US-7122657-B2 UDP-glucose aglycon-glucosytransferase MOLLER, BIRGER LINDBERG (DK) 2006-10-17 US claimed
US-20050277766-A1 Udp-glucose aglycon-glucosytransferase MOLLER, BIRGER LINDBERG (DK) 2005-12-15 US claimed
EP-1234046-A2 UDP-GLUCOSE:AGLYCON-GLUCOSYLTRANSFERASE LUMINIS PTY. LIMITED (AU) 2002-08-28 EP claimed
WO-2001040491-A2 UDP-GLUCOSE:AGLYCON-GLUCOSYLTRANSFERASE LUMINIS PTY, LIMITED (AU) 2001-06-07 WO claimed
EP-0610048-B1 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group MITSUBISHI RAYON CO (JP) 1999-09-22 EP claimed
US-5580765-A A CULTURE PRODUCT OF A-HYDROXYNITRILE OR A MIXTURE OF ALDEHYDE AND PRUSSIC ACID NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-03 US claimed
EP-0610048-A2 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP claimed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
CN-117169388-A Method for predicting optimal recovery period of Chinese yam by using marker metabolite model based on machine learning 河南省农业科学院农产品质量安全研究所 2023-12-05 CN disclosed
US-20230365730-A1 HIGH TEMPERATURE BENZOXAZINE RESINS, METHODS, AND USES THEREOF KANEKA CORPORATION (JP) 2023-11-16 US disclosed
EP-0326063-A2 Process for the preparation of optically active cyanhydrins FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 1989-08-02 EP disclosed
US-4837293-A Linear bisphenol epoxy polymers containing cyano groups THE DOW CHEMICAL COMPANY (US) 1989-06-06 US disclosed
US-4198523-A SODIUM OR POTASSIUM. SOLID INTERMEDIATE FOR ATENOLOL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-04-15 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 (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-20230365730-A1 HIGH TEMPERATURE BENZOXAZINE RESINS, METHODS, AND USES THEREOF KDM5C, DHX15, KDM5A ESR1 364/4885ESR2 1689/4885TSHR 4059/4885

“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.