SCHEMBL3583434

SCHEMBL3583434

COc1cc(C(=O)O)cc([N+](=O)[O-])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA3 P07451 1/20 0.66
PKM P14618 1/20 0.66
CA4 P22748 1/20 0.66
CA6 P23280 1/20 0.66
CA5A P35218 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
CA5B Q9Y2D0 1/20 0.66
TPMT P51580 2/20 0.63
TTR P02766 2/20 0.63
PTGS2 P35354 1/20 0.62
JUN P05412 1/20 0.53
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EGFR P00533 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL31447584 1.00 CA12 (0.66) CA12CA1CA2CA3PKM
SCHEMBL8728260 0.88 TTR (0.60) CA12CA1CA2CA3PKM
SCHEMBL7371831 0.88 TTR (0.60) CA12CA1CA2CA3PKM
SCHEMBL31059025 0.87 LMNA (0.66) CA12CA1CA2CA3PKM
SCHEMBL5598228 0.87 LMNA (0.66) CA12CA1CA2CA3PKM
SCHEMBL31059024 0.87 LMNA (0.66) CA12CA1CA2CA3PKM
SCHEMBL15018739 0.86 TTR (0.61) CA12CA1CA2CA3PKM
SCHEMBL31290239 0.86 TTR (0.61) CA12CA1CA2CA3PKM
SCHEMBL750055 0.86 TTR (0.61) TPMTTTRJUNMAPTSMN1; SMN2
SCHEMBL1447399 0.85 TPMT (0.74) CA12CA1CA2CA3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504444-A Preparation method of 5-nitrovanillic acid 浙江工业大学 2025-02-25 CN claimed
CN-112375014-A Oppicapone process impurity, preparation method and application 重庆柳江医药科技有限公司 2021-02-19 CN claimed
WO-2014147464-A2 NOVEL PROCESS FOR THE PREPARATION OF TOLCAPONE RA CHEM PHARMA LIMITED (IN) 2014-09-25 WO claimed
EP-4727649-A1 PROCESS FOR PREPARING OPICAPONE Medichem, S.A. (ES) 2026-04-22 EP disclosed
US-20260035341-A1 FTO INHIBITORS RPXDS CO LTD (CN) 2026-02-05 US disclosed
EP-4638412-A1 PROCESSES AND INTERMEDIATES FOR SYNTHESISING OPICAPONE BIAL - Portela & Ca., S.A. (PT) 2025-10-29 EP disclosed
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU ENERGY AG (DE) 2025-08-21 US disclosed
EP-4561975-A1 FTO INHIBITORS RPXDS Co., Ltd (CN) 2025-06-04 EP disclosed
CN-119546566-A FTO inhibitors 瑞璞鑫(苏州)生物科技有限公司 2025-02-28 CN disclosed
CN-119504444-A Preparation method of 5-nitrovanillic acid 浙江工业大学 2025-02-25 CN disclosed
CN-119504444-A Preparation method of 5-nitrovanillic acid 浙江工业大学 2025-02-25 CN disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP disclosed
US-4377490-A CYANOACRYLATE, ETHERS, ALCOHOLS, ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-22 US 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 (3 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-20260035341-A1 FTO INHIBITORS FTO, LDLR, GPR119 CA12 4386/4885CA1 3210/4885CA2 3929/4885
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 CA12 1993/4885CA1 1806/4885CA2 1635/4885
US-20070142399-A1 Dual function drugs and uses thereof COMT, DRD2, SLC6A3 CA12 4147/4885CA1 2533/4885CA2 3784/4885

“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.