SCHEMBL4060805

SCHEMBL4060805

CC(O)(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
CES1 P23141 2/20 0.47
CYP19A1 P11511 1/20 0.46
CES2 O00748 1/20 0.46
SRD5A2 P31213 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HPGD P15428 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL11839092 0.95 MAPK1 (0.50) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL1646651 0.83 TDP1 (0.52) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL3530264 0.83 TDP1 (0.52) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL7912766 0.83 TDP1 (0.52) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL2812395 0.81 TDP1 (0.53) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL10879986 0.81 TDP1 (0.53) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL10965695 0.81 ALDH1A1 (0.63) HSD11B1MAPK1ALDH1A1POLBCES1
SCHEMBL1023276 0.80 HSD11B1 (0.60) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL12208260 0.80 HSD11B1 (0.56) HSD11B1TDP1MAPK1ALDH1A1POLB
SCHEMBL1648359 0.80 TDP1 (0.48) HSD11B1TDP1MAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291417-B1 NOVEL (R)-2-HYDROXY-3-PHENYLPROPIONATE (D-PHENYLLACTATE) DEHYDROGENASE AND GENE ENCODING THE SAME MEIJI SEIKA KAISHA (JP) 2007-02-21 EP claimed
EP-3790876-B1 ENDOPARASITIC DEPSIPEPTIDES ZOETIS SERVICES LLC (US) 2025-04-30 EP disclosed
CN-112384511-B Endoparasite depsipeptides 硕腾服务有限责任公司 2024-01-30 CN disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 EP disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 US disclosed
US-20220323540-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-10-13 US disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 US disclosed
US-11331369-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2022-05-17 US disclosed
EP-0903347-A1 NOVEL CYCLIC DEPSIPEPTIDE PF1022 DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1999-03-24 EP disclosed
CN-1208439-A Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AG (DE) 1999-02-17 CN disclosed
US-5847121-A Production of nitro-benzyl-dota via direct peptide cyclization NEORX CORPORATION (US) 1998-12-08 US disclosed
EP-0816316-A1 PROCESS FOR PRODUCING 1,2-ETHANEDIOL DERIVATIVES NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-01-07 EP disclosed
EP-0736035-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-10-09 EP disclosed
US-5541287-A DIAGNOSIS USING CYCLIC TRIPEPTIDES WITH NITROBENZYL 1,4,7,10-TETRAAZACYCLODODECANE-N,N*,N**,N***TETRAACETIC ACID BIOTIN CONJUGATE FORMED BY ALKYLATION AND MULTISTAGE PROCESS NEORX CORPORATION (US) 1996-07-30 US disclosed
WO-1995015335-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-08 WO disclosed
EP-0040932-B1 AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-03 EP disclosed
US-4386080-A 3,4-DISUBSTITUTED-N-ACYLANILINES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-31 US disclosed
EP-0040932-A1 Amide derivatives, process for their manufacture and pharmaceutical or veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-02 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 (6 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-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 HSD11B1 1836/4885TDP1 1937/4885MAPK1 2920/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 HSD11B1 1836/4885TDP1 1937/4885MAPK1 2920/4885
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP HSD11B1 4405/4885TDP1 1064/4885MAPK1 4018/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 HSD11B1 1485/4885TDP1 3426/4885MAPK1 2900/4885
US-20220323540-A1 Endoparasitic Depsipeptides VIP, PREP, VIPR1 HSD11B1 1485/4885TDP1 3426/4885MAPK1 2900/4885
US-11331369-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 HSD11B1 1836/4885TDP1 1937/4885MAPK1 2920/4885

“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.