SCHEMBL3462264

SCHEMBL3462264

CC(C)(C)C(OC(N)=O)(OC(N)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNN4 O15554 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL1363532 0.82 MAPT (0.57) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL17627794 0.82 MAPT (0.40) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL17627785 0.82 KCNN4 (0.42) MAPTKMT2AALDH1A1CYP1A2KCNN4
SCHEMBL112703 0.80 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL27596019 0.78 MAPT (0.48) MAPTKMT2ACYP2C19HIF1AALDH1A1
Propane SCHEMBL28558464 0.76 MAPT (0.50) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL8680769 0.75 MAPT (0.48) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL8747409 0.75 CYP2C19 (0.44) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL2283147 0.74 MAPT (0.48) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL3626290 0.74 KMT2A (0.48) MAPTKMT2ACYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845288-B Asymmetric synthesis method of chiral beta-amino aldehyde compound 浙江工业大学 2022-07-19 CN disclosed
CN-109046449-B Tertiary amine-thiourea bifunctional chiral catalyst and preparation method and application thereof 石家庄学院 2021-04-06 CN disclosed
CN-110845288-A Asymmetric synthesis method of chiral β -amino aldehyde compound 浙江工业大学 2020-02-28 CN disclosed
EP-2657222-B1 BETA-AMINOCARBONYL COMPOUND PRODUCTION METHOD UNIV NAGOYA NAT UNIV CORP (JP) 2014-10-01 EP disclosed
EP-2546257-B1 BISPHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING SAME UNIV TOHOKU NAT UNIV CORP (JP) 2014-08-27 EP disclosed
EP-2657222-A1 BETA-AMINOCARBONYL COMPOUND PRODUCTION METHOD National University Corporation Nagoya University (JP) 2013-10-30 EP disclosed
US-8507715-B2 Method for producing β-aminocarbonyl compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-13 US disclosed
US-8420847-B2 Bis-phosphate compound and asymmetric reaction using the same NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2013-04-16 US disclosed
US-20130079543-A1 METHOD FOR PRODUCING beta-AMINOCARBONYL COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-03-28 US disclosed
EP-2546257-A1 BISPHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING SAME National University Corporation Tohoku University (JP) 2013-01-16 EP disclosed
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME API CORPORATION (JP) 2012-12-27 US disclosed
US-20100298559-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-25 US disclosed
EP-2233468-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST Nissan Chemical Industries, Ltd. (JP) 2010-09-29 EP 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 (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-20100298559-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST C5, C9, CCNE1 MAPT 3244/4885KMT2A 2321/4885CYP2C19 866/4885
US-20130079543-A1 METHOD FOR PRODUCING beta-AMINOCARBONYL COMPOUND DERA, MANBA, ALDOA MAPT 1624/4885KMT2A 3476/4885CYP2C19 1705/4885
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME AASDHPPT, ALDH7A1, ATIC MAPT 1467/4885KMT2A 4503/4885CYP2C19 257/4885

“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.