SCHEMBL1089596

SCHEMBL1089596

CC(C)CC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ELANE P08246 2/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 2/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6545381 0.82 ELANE (0.45) POLBELANEATML3MBTL1NPC1
SCHEMBL10584779 0.82 HPGD (0.46) ELANEATML3MBTL1NPC1RAB9A
SCHEMBL666155 0.81 POLB (0.47) POLBELANEATML3MBTL1NPC1
SCHEMBL237447 0.79 CES2 (0.50) ELANEATML3MBTL1NPC1RAB9A
SCHEMBL5312067 0.77 SLC7A5 (0.50) LMNAMEN1ALDH1A1KMT2AUSP2
SCHEMBL58882 0.76 TDP1 (0.44) ELANEATML3MBTL1MEN1ALDH1A1
SCHEMBL8069670 0.76 MAPT (0.46) ELANEATML3MBTL1ALDH1A1GAA
SCHEMBL1088831 0.76 CES2 (0.53) ELANEATML3MBTL1MEN1ALDH1A1
SCHEMBL6654150 0.75 ALDH1A1 (0.55) ATML3MBTL1NPC1RAB9ALMNA
Phenol SCHEMBL9251256 0.75 MIF (0.45) POLBELANEATML3MBTL1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033125-A A kind of Ai Le replaces the preparation method of Buddhist nun 湖南博奥德生物医药技术开发有限公司 2017-08-11 CN claimed
CN-110234623-B Solution containing dialkylzinc and dialkylzinc partial hydrolysate, and method for producing zinc oxide thin film using same 东曹精细化工株式会社 2023-04-18 CN disclosed
US-8153839-B2 Method for synthesis of keto acids or amino acids by hydration of acetylene compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-10 US disclosed
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP disclosed
US-5523459-A OXIDIZING ALPHA-HYDROXYCARBOXYLIC ACID ESTER WITH MOLECULAR OXYGEN IN GASEOUS PHASE IN PRESENCE OF COPPER PHOSPHATE UBE INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed
EP-0673914-A2 Preparation of alpha-keto acid ester UBE INDUSTRIES, LTD. (JP) 1995-09-27 EP disclosed
EP-0310034-A2 Process for production of L-phenylalanine lower alkyl esters KURARAY CO., LTD. (JP) 1989-04-05 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 (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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 POLB 3155/4885ELANE 956/4885ATM 1558/4885

“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.