SCHEMBL7309562

SCHEMBL7309562

COc1cc(/C=C/C(=O)O)cc2c1OCO2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
ALDH1A1 P00352 6/20 0.80
POLB P06746 2/20 0.80
TDP1 Q9NUW8 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.80
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PKM P14618 2/20 0.57
HTR1A P08908 1/20 0.57
HTR2C P28335 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
APP P05067 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL7309566 1.00 KDM4E (0.80) KDM4EALDH1A1POLBTDP1L3MBTL1
Pyrrolidine SCHEMBL22397855 0.93 KDM4E (0.70) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL15681760 0.91 ALDH1A1 (0.67) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL21002107 0.89 KDM4E (1.00) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL23728133 0.82 KDM4E (0.65) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL23728132 0.82 KDM4E (0.65) KDM4EALDH1A1POLBTDP1L3MBTL1
Isomyristicin SCHEMBL30678763 0.81 ALDH1A1 (0.52) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31493163 0.81 ALDH1A1 (0.53) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL7199637 0.80 ALDH1A1 (0.52) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL30365889 0.80 ALDH1A1 (0.52) KDM4EALDH1A1POLBTDP1L3MBTL1

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-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed
US-11571453-B2 Piper laetispicum extract and preparation method therefor and use thereof SUZHOU YI-HUA BIOMEDICAL TECHNOLOGY CO., LTD (CN) 2023-02-07 US disclosed
US-20210187051-A1 PIPER LAETISPICUM EXTRACT AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU YI-HUA BIOMEDICAL TECHNOLOGY CO., LTD (CN) 2021-06-24 US disclosed
EP-3705128-A1 PIPER LAETISPICUM EXTRACT AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Yi-hua Biomedical Technology Co., Ltd. (CN) 2020-09-09 EP disclosed
EP-2725018-B1 SUBSTITUTED CINNAMAMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF TASLY PHARMACEUTICAL GROUP CO (CN) 2017-04-19 EP disclosed
US-20140121242-A1 SUBSTITUTED CINNAMAMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF TASLY PHARMACEUTICAL GROUP CO., LTD. (CN) 2014-05-01 US disclosed
US-20140121242-A1 SUBSTITUTED CINNAMAMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF TASLY PHARMACEUTICAL GROUP CO., LTD. (CN) 2014-05-01 US disclosed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0590919-A1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-06 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-11571453-B2 Piper laetispicum extract and preparation method therefor and use thereof NOTUM, CYP51A1, LSS KDM4E 268/4885ALDH1A1 245/4885POLB 2745/4885
US-20140121242-A1 SUBSTITUTED CINNAMAMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF NISCH, TPH2, PAH KDM4E 922/4885ALDH1A1 32/4885POLB 1837/4885
US-20210187051-A1 PIPER LAETISPICUM EXTRACT AND PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, CYP51A1, LSS KDM4E 268/4885ALDH1A1 245/4885POLB 2745/4885

“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.