SCHEMBL402146

SCHEMBL402146

COC(=O)c1cc(C)c(O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
XDH P47989 2/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CNR2 P34972 2/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
PKM P14618 2/20 0.53

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
Syringate SCHEMBL159392 0.88 CA12 (0.67) KDM4ELMNAGAAXDHPOLB
SCHEMBL198717 0.86 KDM4E (0.65) KDM4ELMNAGAAXDHPOLB
SCHEMBL30594704 0.85 KDM4E (0.77) KDM4ELMNAGAAXDHPOLB
SCHEMBL1465618 0.85 KDM4E (0.77) KDM4ELMNAGAAXDHPOLB
SCHEMBL2308812 0.84 HSD17B2 (0.62) KDM4ELMNAGAAPOLBCA12
SCHEMBL12396894 0.83 LMNA (0.78) KDM4ELMNAGAACA12CA1
SCHEMBL18969524 0.83 KMT2A (0.51) KDM4ELMNAGAAXDHPOLB
SCHEMBL17655667 0.83 KDM4E (0.57) KDM4ELMNAGAAXDHPOLB
SCHEMBL3230514 0.83 CA12 (0.78) KDM4ELMNAPOLBFUT7TDP1
SCHEMBL24425750 0.81 KMT2A (0.54) KDM4ELMNAPOLBCNR2CA12

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
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed
US-20180020708-A1 GLUCOSYRINGIC ACID ANALOGS AS SWEETNESS PROFILE MODIFIERS PEPSICO, INC. 2018-01-25 US disclosed
US-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2012-01-26 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-20110287059-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2011-11-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (6 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR KDM4E 2084/4885LMNA 2746/4885GAA 3678/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR KDM4E 2084/4885LMNA 2746/4885GAA 3678/4885
US-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS FABP6, NNT, IAPP KDM4E 2175/4885LMNA 2820/4885GAA 565/4885
US-20110287059-A1 HONEY ANALYSIS GLO1, GLMN, AGER KDM4E 709/4885LMNA 2071/4885GAA 312/4885
US-20180020708-A1 GLUCOSYRINGIC ACID ANALOGS AS SWEETNESS PROFILE MODIFIERS GPR119, TAS2R42, TAS2R31 KDM4E 3235/4885LMNA 3784/4885GAA 184/4885
US-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA KDM4E 2908/4885LMNA 2858/4885GAA 312/4885

“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.