SCHEMBL3076077

SCHEMBL3076077

COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 4/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
METAP1 P53582 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
GFER P55789 1/20 0.51
HSD17B10 Q99714 2/20 0.50
DYRK1A Q13627 2/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MAPK1 P28482 1/20 0.49
PIM1 P11309 1/20 0.49
AKR1B1 P15121 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CLK1 P49759 1/20 0.49

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
SCHEMBL3520025 0.87 HPGD (0.58) KMT2AALDH1A1CRHBPCRHR2METAP1
SCHEMBL22409629 0.81 APP (0.58) KMT2AALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL23388525 0.81 APP (0.58) KMT2AALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL17199432 0.80 ALDH1A1 (0.67) KMT2AALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL4980344 0.80 ALDH1A1 (0.54) KMT2AALDH1A1CRHBPCRHR2
SCHEMBL15256496 0.80 PIM1 (0.55) KMT2AALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL1587773 0.80 ALDH1A1 (0.66) KMT2AALDH1A1CRHBPCRHR2
SCHEMBL9197946 0.79 KMT2A (1.00) KMT2AALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL12345520 0.79 ALDH1A1 (0.65) KMT2AALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL2074007 0.79 ALDH1A1 (0.65) KMT2AALDH1A1CRHBPCRHR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 US disclosed
CN-111848637-B Method for synthesizing cis/trans spiro compound containing oxygen nitrogen heteroatom 扬州大学 2021-07-20 CN disclosed
CN-111848637-A Method for synthesizing cis/trans spiro compound containing oxygen nitrogen heteroatom 扬州大学 2020-10-30 CN disclosed
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-09-17 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP disclosed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 WO disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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 (4 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-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof PDK1, PDHA1, PDHA2 KMT2A 1048/4885ALDH1A1 7/4885CRHBP 3904/4885
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 KMT2A 2019/4885ALDH1A1 2507/4885CRHBP 4732/4885
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF PDK1, PDHA1, PDHA2 KMT2A 1048/4885ALDH1A1 7/4885CRHBP 3904/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT KMT2A 108/4885ALDH1A1 3159/4885CRHBP 2189/4885

“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.