SCHEMBL6742909

SCHEMBL6742909

CC(=O)Oc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 3/20 0.52
MAPT P10636 6/20 0.50
PDK1 Q15118 1/20 0.49
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
PDE7A Q13946 1/20 0.48
PRSS1 P07477 2/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8800291 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL1982730 0.89 TSHR (0.63) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL13461422 0.88 PDK1 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL4641784 0.86 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL7319750 0.86 PRSS1 (0.66) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL20285788 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL4337680 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL30825381 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL28106211 0.85 VCAM1 (0.61) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL11803783 0.85 POLB (0.51) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181681-A 2-Amino-4-ethynylphenol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-01-01 US claimed
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
CN-1377342-A Process for preparation of tricyclic amino alcohol derivatives ASAHI CHEMICAL IND (JP) 2002-10-30 CN disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 EP disclosed
US-4618624-A 3-amino-4-hydroxy(or alkoxy)phenethanolamine derivatives and pharmacologically-acceptable acid addition salts thereof for increasing the growth rate and/or improving the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-10-21 US disclosed
EP-0080595-B1 ALKANESULFONANILIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF AMERICAN CYANAMID COMPANY (US) 1985-05-29 EP disclosed
US-4477680-A 3-Amino-4-hydroxy(or alkoxy)phenethanolamine derivatives and _pharmacologically acceptable acid addition salts thereof for _increasing the growth rate and/or improving the lean meat to fat _ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1984-10-16 US disclosed
EP-0080595-A1 Alkanesulfonanilide derivatives and pharmaceutically acceptable acid addition salts thereof AMERICAN CYANAMID COMPANY (US) 1983-06-08 EP disclosed
US-4181681-A 2-Amino-4-ethynylphenol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-01-01 US disclosed
US-4181681-A 2-Amino-4-ethynylphenol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-01-01 US disclosed
US-4147858-A Fluorocarbon ether bibenzoxazole oligomers containing reactive acetylenic terminal groups THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1979-04-03 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 (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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 ALDH1A1 80/4885SMN1; SMN2 4201/4885LMNA 2562/4885

“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.