SCHEMBL538763

SCHEMBL538763

CCC(C)OC(=O)C(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
SRC P12931 1/20 0.52
MMP8 P22894 1/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
KLK7 P49862 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
Methane SCHEMBL11382581 0.98 MAPT (0.51) MAPTSRCMMP8POLBKMT2A
SCHEMBL4068945 0.87 MAPT (0.43) MAPTSRCMMP8POLBKMT2A
SCHEMBL11377804 0.87 MAPT (0.43) MAPTSRCALDH1A1HSD17B10LMNA
SCHEMBL5165789 0.86 MAPT (0.43) MAPTMMP8KMT2AALDH1A1
SCHEMBL4281827 0.86 MAPT (0.43) MAPTSRCMMP8POLBNPC1
SCHEMBL1155256 0.86 POLB (0.44) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL290365 0.84 ALDH1A1 (0.43) MAPTMMP8POLBNPC1ALDH1A1
SCHEMBL11623149 0.83 MAPT (0.41) MAPTSRCNPC1ALDH1A1LMNA
SCHEMBL18978192 0.83 MMP8 (0.48) SRCMMP8POLBKMT2AMEN1
SCHEMBL8860210 0.82 SRC (0.59) SRCMMP8KMT2AKLK7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092709-B Synthetic method of non-urethane intermediate 2-phenyl-1, 3-propylene glycol 深圳市第二人民医院 2022-03-04 CN claimed
CN-113603589-A Method for purifying diethyl phenylmalonate 山东石大胜华化工集团股份有限公司 2021-11-05 CN claimed
CN-110092709-B Synthetic method of non-urethane intermediate 2-phenyl-1, 3-propylene glycol 深圳市第二人民医院 2022-03-04 CN disclosed
CN-113603589-A Method for purifying diethyl phenylmalonate 山东石大胜华化工集团股份有限公司 2021-11-05 CN disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
EP-1888570-A2 METHODS FOR SYNTHESIS OF DICARBAMATE COMPOUNDS AND INTERMEDIATES IN THE FORMATION THEREOF MedPointe Healthcare Inc. (US) 2008-02-20 EP disclosed
WO-2006116007-A2 METHODS FOR SYNTHESIS OF DICARBAMATE COMPOUNDS AND INTERMEDIATES IN THE FORMATION THEREOF MEDPOINTE HEALTHCARE INC. (US) 2006-11-02 WO disclosed
US-4118562-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1978-10-03 US disclosed
US-4093802-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4093804-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4066664-A Intermediates for preparing α-carboxy-α-(3-thienyl)penicillin and cephalosporin derivatives RECHERCHE ET INDUSTRIE THERAPEUTIQUES (BE) 1978-01-03 US disclosed
US-4045438-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1977-08-30 US disclosed
US-4031083-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1977-06-21 US disclosed
US-4026887-A Cephalosporin antibiotics YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1977-05-31 US disclosed
US-3994875-A CEPHALOSPORINS, PENICILLINS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-11-30 US disclosed
US-3948904-A ANTIBIOTICS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-04-06 US 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-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP MAPT 4163/4885SRC 2497/4885MMP8 2623/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB MAPT 4496/4885SRC 254/4885MMP8 2602/4885

“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.