SCHEMBL6403664

SCHEMBL6403664

CC(C)(C)c1cc(COC([O])=O)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 6/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.49
HMGCR P04035 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
GMNN O75496 1/20 0.47
GABBR2 O75899 1/20 0.47

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
SCHEMBL931514 0.86 ALDH1A1 (0.51) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL6403668 0.86 GAA (0.53) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL9015587 0.84 ALDH1A1 (0.47) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL11492567 0.84 ALDH1A1 (0.47) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL5012328 0.84 ALDH1A1 (0.47) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL3125768 0.84 GAA (0.50) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL6473822 0.84 ALDH1A1 (0.47) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL6696308 0.83 ALDH1A1 (0.46) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL28850429 0.83 HMGCR (0.49) ALDH1A1GAAKMT2ATSHRMAPK1
SCHEMBL11768900 0.81 KMT2A (0.54) ALDH1A1GAAKMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 ALDH1A1 1862/4885GAA 2407/4885KMT2A 2222/4885

“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.