SCHEMBL505778

SCHEMBL505778

CN(C)C(=O)c1ccc(CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX2 P34913 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
ACACB O00763 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CYP3A4 P08684 2/20 0.43
PDK2 Q15119 2/20 0.43
HSD11B1 P28845 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAPT P10636 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL1004649 0.83 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL30663615 0.83 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL16242064 0.83 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL4485529 0.83 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL9705548 0.82 NR1H4 (0.56) ALDH1A1SMN1; SMN2NR1H4ACACBPDK2
SCHEMBL8056783 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL3818379 0.81 LOXL2 (0.55) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL3274471 0.81 CA1 (0.55) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL7223619 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL23471014 0.80 HDAC4 (0.48) ACACBPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP claimed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO claimed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 US disclosed
EP-2805948-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF Santen Pharmaceutical Co., Ltd (JP) 2014-11-26 EP disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP disclosed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO disclosed
EP-0816356-B1 1-(2-(1-piperidinyl)-1-ethyl)-1,3-dihydro-2H-benzimidazole derivatives and their pharmaceutical use LILLY CO ELI (GB) 2000-11-02 EP disclosed
US-6075039-A 5HT receptor binding benzimidazolylpiperidines ELI LILLY AND COMPANY LIMITED (GB) 2000-06-13 US disclosed
EP-0816356-A1 1-(2-(1-piperidinyl)-1-ethyl)-1,3-dihydro-2H-benzimidazole derivatives and their pharmaceutical use ELI LILLY AND COMPANY LIMITED (GB) 1998-01-07 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 (7 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-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ALDH1A1 1338/4885HPGD 2891/4885SMN1; SMN2 3209/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ALDH1A1 1338/4885HPGD 2891/4885SMN1; SMN2 3209/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 ALDH1A1 1338/4885HPGD 2891/4885SMN1; SMN2 3209/4885
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 ALDH1A1 101/4885HPGD 1129/4885SMN1; SMN2 3709/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ALDH1A1 1338/4885HPGD 2891/4885SMN1; SMN2 3209/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 ALDH1A1 1573/4885HPGD 2684/4885SMN1; SMN2 1525/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ALDH1A1 2732/4885HPGD 4551/4885SMN1; SMN2 3347/4885

“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.