SCHEMBL6036458

SCHEMBL6036458

O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 8/20 1.00
GPR35 Q9HC97 3/20 1.00
ALDH1A1 P00352 3/20 1.00
MAPT P10636 3/20 1.00
KDM4E B2RXH2 2/20 1.00
MEN1 O00255 2/20 1.00
CYP2C9 P11712 2/20 1.00
HPGD P15428 2/20 1.00
MAPK1 P28482 2/20 1.00
RECQL P46063 2/20 1.00
PMP22 Q01453 2/20 1.00
KMT2A Q03164 2/20 1.00
HIF1A Q16665 2/20 1.00
HSD17B10 Q99714 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
GMNN O75496 1/20 1.00
LMNA P02545 1/20 1.00
TP53 P04637 1/20 1.00
CYP3A4 P08684 1/20 1.00
THRB P10828 1/20 1.00

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
SCHEMBL29551547 1.00 TTR (1.00) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL16450343 0.88 TTR (0.78) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL13121786 0.88 TTR (0.78) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL7373759 0.85 TTR (0.74) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL7369215 0.84 TTR (0.73) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL7369506 0.84 TTR (0.73) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL15159830 0.84 TTR (0.73) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL7366072 0.84 TTR (0.73) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL7428415 0.84 TTR (0.72) TTRGPR35ALDH1A1MAPTKDM4E
SCHEMBL7370239 0.84 TTR (0.72) TTRGPR35ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003070082-A2 ASSOCIATION OF SNPS IN THE COMT LOCUS AND NEIGHBORING LOCI WITH SCHIZOPHRENIA, BIPOLAR DISORDER, BREAST CANCER AND COLORECTAL CANCER IDGENE PHARMACEUTICALS LTD. (IL) 2003-08-28 WO claimed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US claimed
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 claimed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP claimed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP claimed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP claimed
US-11872236-B2 Pharmacological agents for treating ocular diseases CALASIA PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-11872236-B2 Pharmacological agents for treating ocular diseases CALASIA PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-20230105307-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-04-06 US disclosed
US-11337935-B2 Identification of stabilizers of multimeric proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-05-24 US disclosed
US-20210154213-A1 PHARMACOLOGICAL AGENTS FOR TREATING OCULAR DISEASES CALASIA PHARMACEUTICALS INC (US) 2021-05-27 US disclosed
US-20200016098-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-01-16 US disclosed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP 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-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 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 (5 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-20230105307-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSPH1 TTR 1/4885GPR35 3900/4885ALDH1A1 3493/4885
US-11337935-B2 Identification of stabilizers of multimeric proteins TTR, HSPBP1, HSPH1 TTR 1/4885GPR35 3900/4885ALDH1A1 3493/4885
US-20210154213-A1 PHARMACOLOGICAL AGENTS FOR TREATING OCULAR DISEASES CRYAA, CRYAB, TTR TTR 3/4885GPR35 897/4885ALDH1A1 1822/4885
US-11872236-B2 Pharmacological agents for treating ocular diseases CRYAA, CRYAB, TTR TTR 3/4885GPR35 897/4885ALDH1A1 1822/4885
US-20200016098-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSPH1 TTR 1/4885GPR35 3900/4885ALDH1A1 3493/4885

“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.