SCHEMBL2348845

SCHEMBL2348845

CC(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.74
MAOA P21397 3/20 0.66
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HRH3 Q9Y5N1 3/20 0.58
MRGPRX4 Q96LA9 2/20 0.58
CYP19A1 P11511 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55

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
SCHEMBL22721357 0.87 MRGPRX4 (0.71) MAOBALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL22721344 0.86 MRGPRX4 (0.70) SMN1; SMN2MRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL22386765 0.85 MRGPRX4 (0.55) MAOBSMN1; SMN2MRGPRX4CYP19A1CYP11B1
SCHEMBL75853 0.85 RAB9A (0.59) MAOBSMN1; SMN2L3MBTL1
SCHEMBL22721364 0.85 PARP10 (0.76) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL18002926 0.85 MAOB (1.00) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL22386764 0.83 MRGPRX4 (0.53) MAOBSMN1; SMN2MRGPRX4CYP19A1CYP11B1
SCHEMBL2087139 0.83 MAOB (1.00) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL20197040 0.83 PPARD (0.54) MAOBMAOAMRGPRX4RXRARXRB
SCHEMBL20463314 0.83 MAOB (0.52) MAOBMAOAALDH1A1MRGPRX4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018144900-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-08-09 WO disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-7423060-B2 Thiophene hydroxamic acid derivatives and their use as HDAC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-20080070976-A1 Thiophene Hydroxamic Acid Derivatives and Their Use as Hdac Inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 US disclosed
EP-1758881-A1 THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 EP disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 US disclosed
WO-2005121120-A1 THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO 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 (2 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-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS MAOB 340/4885MAOA 551/4885ALDH1A1 539/4885
US-20080070976-A1 Thiophene Hydroxamic Acid Derivatives and Their Use as Hdac Inhibitors HDAC1, HDAC5, HDAC2 MAOB 1022/4885MAOA 740/4885ALDH1A1 147/4885

“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.