SCHEMBL4882534

SCHEMBL4882534

C[C](C)C(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ADRA2C P18825 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ADRA2A P08913 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.43
NAAA Q02083 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA1A P35348 1/20 0.43
RGS12 O14924 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL13849535 0.79 HPGD (0.63) LMNAMAPK1HPGDCES2CES1
SCHEMBL12468637 0.79 HPGD (0.63) LMNAMAPK1HPGDCES2CES1
SCHEMBL2249346 0.79 HPGD (0.63) LMNAMAPK1HPGDCES2CES1
SCHEMBL12588246 0.79 LMNA (0.52) LMNAMAPK1HPGDCES2CES1
SCHEMBL890219 0.79 LMNA (0.65) LMNAMAPK1HPGDCES2CES1
SCHEMBL26259 0.79 LMNA (0.65) LMNAMAPK1HPGDCES2CES1
SCHEMBL4949625 0.79 LMNA (0.52) LMNAMAPK1HPGDCES2CES1
SCHEMBL9221845 0.79 LMNA (0.65) LMNAMAPK1HPGDCES2CES1
Mandelic Acid SCHEMBL2689157 0.77 LMNA (0.86) LMNAMAPK1HPGDCES2CES1
SCHEMBL10536611 0.77 LMNA (0.62) LMNAMAPK1HPGDCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
CN-110790673-A Method for preparing O-tert-butyl-L-threonine tert-butyl ester 熊飞龙 2020-02-14 CN disclosed
CN-110790674-A Method for continuously producing O-tert-butyl-L-threonine tert-butyl ester 熊飞龙 2020-02-14 CN disclosed
CN-103797020-A P-chirality source organic phosphorus compound CENTRE NAT RECH SCIENT 2014-05-14 CN disclosed
CN-101155804-B Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMA CO LTD 2013-03-27 CN disclosed
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
CN-101155804-A Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMA CO LTD (JP) 2008-04-02 CN disclosed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
CN-1017708-B METHOD FOR PREPARATION OF PYRAZOLOTRIAZINE COMPOUNDS OTSUKA CHEMICAL CO LTD (JP) 1992-08-05 CN disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
CN-1051178-A New heterogeneous ring compound and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1991-05-08 CN disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
CN-87107217-A Method for preparation of pyrazolotriazine compounds 1988-05-11 CN 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 (1 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-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 LMNA 1437/4885MAPK1 1175/4885HPGD 156/4885

“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.