SCHEMBL1131200

SCHEMBL1131200

N[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.96
LMNA P02545 1/20 0.96
MAPK1 P28482 1/20 0.96
EPHX1 P07099 1/20 0.50
ANPEP P15144 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP2C19 P33261 2/20 0.45

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
SCHEMBL294458 1.00 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1262139 1.00 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1ANPEP
Acetic Acid SCHEMBL8841092 0.91 KDM4E (0.81) KDM4ELMNAMAPK1EPHX1ANPEP
Acetic Acid SCHEMBL8841087 0.91 KDM4E (0.81) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7875715 0.89 KDM4E (0.77) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7875720 0.89 KDM4E (0.77) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153586 0.88 KDM4E (0.75) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153584 0.88 KDM4E (0.75) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7103304 0.84 KDM4E (0.69) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153290 0.84 KDM4E (0.69) KDM4ELMNAMAPK1SLC6A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265528-B Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2015-05-06 CN claimed
CN-103265528-A Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-08-28 CN claimed
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US claimed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 US claimed
US-10788471-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2020-09-29 US disclosed
US-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 US disclosed
US-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 US disclosed
US-9815746-B2 Stereodynamic chemosensors GEORGETOWN UNIVERSITY (US) 2017-11-14 US disclosed
US-9815746-B2 Stereodynamic chemosensors GEORGETOWN UNIVERSITY (US) 2017-11-14 US disclosed
US-20160039723-A1 STEREODYNAMIC CHEMOSENSORS GEORGETOWN UNIVERSITY (US) 2016-02-11 US disclosed
US-20160039723-A1 STEREODYNAMIC CHEMOSENSORS GEORGETOWN UNIVERSITY (US) 2016-02-11 US disclosed
US-20160011156-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2016-01-14 US disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (2 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-20160039723-A1 STEREODYNAMIC CHEMOSENSORS ENO1, EDNRA, OPRL1 KDM4E 4547/4885LMNA 4292/4885MAPK1 2548/4885
US-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS KDM4E 4137/4885LMNA 3952/4885MAPK1 3382/4885

“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.