SCHEMBL7467765

SCHEMBL7467765

COc1c(C)ccc(C(=O)O)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.39
TPMT P51580 1/20 0.39
HAAO P46952 1/20 0.38
NEK2 P51955 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.37
ACLY P53396 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6646160 0.82 TDP1 (0.52) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL3780281 0.81 MAPT (0.66) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL11218412 0.81 TDP1 (0.50) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL4278017 0.80 MAPT (0.64) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL16108037 0.80 HSD17B10 (0.50) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL17371291 0.79 TDP1 (0.68) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL1478662 0.78 ALDH1A1 (0.47) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL29057071 0.78 HSD17B10 (0.47) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL1919502 0.77 TDP1 (0.50) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL2898402 0.76 HAAO (0.42) TDP1ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783179-A Compounds and methods for targeted degradation of androgen receptor proteins 阿尔维纳斯运营股份有限公司 2023-09-19 CN disclosed
EP-1023293-A4 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-20 EP disclosed
EP-1086104-A4 FUSED PHENOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-02-06 EP disclosed
EP-1032384-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6284753-B2 GRAMPOSITVE BACTERIA MERCK & CO., INC. 2001-09-04 US disclosed
US-6277843-B1 USEFUL AGAINST GRAMPOSITIVE BACTERIA, I.E., METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS, WITH REDUCED SIDE EFFECTS MERCK & CO., INC. 2001-08-21 US disclosed
US-20010011086-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. 2001-08-02 US disclosed
EP-1086104-A1 FUSED PHENOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2001-03-28 EP disclosed
US-6207823-B1 ANTIBIOTIC; ANTIBIOTIC RESISTANT INFECTIONS MERCK & CO., INC. 2001-03-27 US disclosed
EP-1032384-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
EP-1023293-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999062907-A1 FUSED PHENOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-12-09 WO disclosed
WO-1999020270-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999014217-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-03-25 WO 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-20010011086-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT TOP1, NRDC, PAICS TDP1 4498/4885MAPT 4547/4885ALDH1A1 3690/4885

“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.