SCHEMBL4867973

SCHEMBL4867973

COCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
ALDH1A1 P00352 1/20 0.46
AOC3 Q16853 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
LTA4H P09960 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS1 P29475 1/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27733401 0.85 SMN1; SMN2 (0.40) MAOBALDH1A1AOC3MEN1KMT2A
SCHEMBL12926333 0.82 SMN1; SMN2 (0.36) MAOBALDH1A1AOC3MEN1KMT2A
SCHEMBL3589633 0.82 NQO1 (0.50) MAOBLTA4HMAPT
SCHEMBL19228661 0.82 LMNA (0.47) MAOBALDH1A1AOC3CHRNB2CHRNB4
SCHEMBL12409059 0.82 NOS1 (0.49) MAOBALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2129443 0.81 SMN1; SMN2 (0.53) MAOBALDH1A1AOC3MEN1KMT2A
SCHEMBL12926334 0.81 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8237725 0.78 NQO1 (0.64) MAOBALDH1A1AOC3CHRNB2CHRNB4
SCHEMBL1040476 0.77 L3MBTL1 (0.55) MAOBALDH1A1AOC3KMT2ALMNA
SCHEMBL14930472 0.77 KDM4E (0.46) MAOBCHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621729-B Perfluoro phenyl substituted salicylaldimine nickel complex, preparation method and application thereof 华东理工大学 2025-06-24 CN disclosed
CN-116621729-A Perfluoro phenyl substituted salicylaldimine nickel complex, preparation method and application thereof 华东理工大学 2023-08-22 CN disclosed
CN-105492075-A Inhibitors of viral replication, their process of preparation and their therapeutical uses MUTABILIS SA 2016-04-13 CN disclosed
CN-100447149-C COMT inhibitors HOFFMANN LA ROCHE (CH) 2008-12-31 CN disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1790644-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-30 EP disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
CN-1886416-A COMT inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN disclosed
EP-1697394-A2 COMT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-06 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 US disclosed
US-20040087436-A1 Novel polymerisation catalysts BP CHEMICALS LIMITED (GB) 2004-05-06 US disclosed
US-20040033899-A1 5[(pyrazol-4-yl)carbonyl]benzazolone as herbicide BASF AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 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 (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-20040033899-A1 5[(pyrazol-4-yl)carbonyl]benzazolone as herbicide CBR3, DDT, CYP1B1 MAOB 2968/4885ALDH1A1 121/4885AOC3 1572/4885
US-20040087436-A1 Novel polymerisation catalysts SCO2, PDS5A, MT-CO3 MAOB 1697/4885ALDH1A1 3838/4885AOC3 956/4885
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 MAOB 2/4885ALDH1A1 46/4885AOC3 830/4885

“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.