SCHEMBL138281

SCHEMBL138281

CC(OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 3/20 0.56
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
SLC1A1 P43005 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 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
SCHEMBL138280 1.00 KMT2A (0.56) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL27757196 1.00 KMT2A (0.56) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL1706675 1.00 KMT2A (0.56) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7686303 0.98 KMT2A (0.54) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL8687505 0.98 KMT2A (0.54) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL8687912 0.98 KMT2A (0.54) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL7933798 0.93 KMT2A (0.50) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL7924569 0.91 KMT2A (0.49) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL7929531 0.91 KMT2A (0.49) KMT2ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL3260466 0.89 GAA (0.57) CYP1A2CYP2C9CYP2C19TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113233972-B Synthesis method of (R) -2-benzyloxy propionic acid and intermediate thereof 南京红杉生物科技有限公司 2022-09-02 CN claimed
CN-109796368-B Synthesis method of N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 浙江大学宁波理工学院 2021-11-02 CN claimed
CN-113233972-A Synthesis method of (R) -2-benzyloxy propionic acid and intermediate thereof 南京红杉生物科技有限公司 2021-08-10 CN claimed
CN-109651187-B Synthesis method of (S) -N' - (2-benzyloxypropylene) formylhydrazine 宁波新极新材料科技有限公司 2021-07-09 CN claimed
CN-108101759-B Method for synthesizing (S) -2-benzyloxy propionaldehyde 宁波新凯生物科技有限公司 2021-06-11 CN claimed
US-20200360317-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE PROPONENT BIOTECH GMBH (CH) 2020-11-19 US claimed
CN-108586280-B Method for synthesizing N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 宁波新极新材料科技有限公司 2020-11-10 CN claimed
CN-108191703-B Method for synthesizing (S) -N' - (2-benzyloxy propylene) formylhydrazine 宁波新极新材料科技有限公司 2020-07-07 CN claimed
US-20190160030-A1 CARBOXYLIC ACIDS FOR EARLY CHILDHOOD APPLICATION PROPONENT BIOTECH GMBH (CH) 2019-05-30 US claimed
CN-109796368-A A kind of synthetic method of N '-[(2S, 3S) -2-(benzyloxy) amyl- 3- yl] formylhydrazine 浙江大学宁波理工学院 2019-05-24 CN claimed
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 EP claimed
US-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2016-09-01 US claimed
US-20150246015-A1 Esters of Short Chains Fatty Acids for Use in the Treatment of Immunogenic Disorders PROPONENT BIOTECH GMBH (CH) 2015-09-03 US claimed
EP-2903608-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS Proponent Biotech GmbH (CH) 2015-08-12 EP claimed
CN-102603550-B Preparation method of intermediate BOPTA (4-hydroxy-5,8,11-tricarboxymethyl-1-phenyl-2-oxa-5,8,11-triazanaphthalenetridecane-13-acid) FOSHAN PRIZEN MEDICAL TECHNOLOGY CO LTD 2014-11-26 CN claimed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 US claimed
EP-2758385-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN Laboratories Limited (IN) 2014-07-30 EP claimed
WO-2014053592-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2014-04-10 WO claimed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 WO claimed
WO-2012131069-A1 SHORT CHAIN FATTY ACIDS AND THEIR DERIVATIVES FOR USE IN TREATMENT IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2012-10-04 WO claimed

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-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS TSLP, HLA-DRB1, LTA KMT2A 2312/4885CYP1A2 2231/4885SLC1A3 764/4885
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof CYP3A4, CYP51A1, CYP1B1 KMT2A 3861/4885CYP1A2 11/4885SLC1A3 4320/4885
US-20150246015-A1 Esters of Short Chains Fatty Acids for Use in the Treatment of Immunogenic Disorders TSLP, HLA-DRB1, LTA KMT2A 2312/4885CYP1A2 2231/4885SLC1A3 764/4885

“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.