SCHEMBL9747677

SCHEMBL9747677

CC(C)(C)OC(=O)c1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
BACE1 P56817 3/20 0.42
SIRT6 Q8N6T7 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MGLL Q99685 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DTYMK P23919 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL19782588 0.85 TDP1 (0.48) BACE1SIRT6TDP1ALDH1A1LMNA
SCHEMBL557153 0.85 VCAM1 (0.46) SIRT6CA12CA1CA2CA9
SCHEMBL1028520 0.84 TDP1 (0.46) SIRT6TDP1NPSR1ALDH1A1LMNA
SCHEMBL8767674 0.84 TDP1 (0.47) SIRT6TDP1DTYMKALDH1A1LMNA
SCHEMBL1028481 0.84 TDP1 (0.47) SIRT6TDP1DTYMKALDH1A1MAPT
SCHEMBL1186362 0.84 TDP1 (0.52) TDP1ALDH1A1LMNAMAPT
SCHEMBL30032292 0.84 MAPT (0.41) SIRT6TDP1DTYMKALDH1A1MAPT
SCHEMBL268199 0.83 CA12 (0.59) BACE1SIRT6CA12CA1CA2
SCHEMBL557039 0.82 CASP6 (0.55) DTYMKLMNAMAPT
SCHEMBL557040 0.82 CASP6 (0.55) DTYMKLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046947-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-02-16 US disclosed
CN-115279416-A Reactive conjugates 德彪药业国际股份公司 2022-11-01 CN disclosed
EP-4069311-A1 REACTIVE CONJUGATES Debiopharm Research & Manufacturing SA (CH) 2022-10-12 EP disclosed
CN-110650968-B Modified nucleosides or nucleotides 深圳华大智造科技股份有限公司 2022-07-05 CN disclosed
WO-2021110860-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2021-06-10 WO disclosed
CN-110650968-A Modified nucleosides or nucleotides 深圳华大智造科技有限公司 2020-01-03 CN disclosed
US-5110723-A Assay for microorganisms; no surfactant necessary EASTMAN KODAK COMPANY (US) 1992-05-05 US disclosed
US-5037762-A Determination Of Enzymes, Metabolites Or Living Cells With Quinone Derivatives EASTMAN KODAK COMPANY (US) 1991-08-06 US disclosed
US-4853186-A Water-compatible reducible compounds and their use in analytical compositions and methods EASTMAN KODAK COMPANY (US) 1989-08-01 US disclosed
EP-0247848-A2 Water-compatible reducible compounds and their use in analytical compositions and methods EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1987-12-02 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 (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-20230046947-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A EGFR 12/4885BACE1 1618/4885SIRT6 665/4885

“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.