SCHEMBL4381664

SCHEMBL4381664

Oc1ccc(C=CCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
AKR1B10 O60218 4/20 0.51
AKR1B1 P15121 4/20 0.51
CA12 O43570 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA5A P35218 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 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
SCHEMBL4381661 1.00 MAOB (0.54) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL1577000 0.92 MAOB (0.48) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL4379433 0.92 MAOB (0.48) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL3697792 0.92 MAOB (0.48) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL7106133 0.90 APP (0.50) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL7106127 0.90 APP (0.50) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL23962525 0.89 MMP3 (0.52) MAOBAKR1B10AKR1B1CA12CA4
SCHEMBL4256257 0.85 MAOB (0.67) MAOBCA1CA2ARG2CYP3A4
SCHEMBL163963 0.85 MAOB (0.67) MAOBCA1CA2ARG2CYP3A4
SCHEMBL1892917 0.85 MAOB (0.67) MAOBCA1CA2ARG2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109730071-A A kind of composition of medicine and preparation method thereof for preventing and treating vegetable sprout term damping-off 丰县嘉诺农业科技发展有限公司 2019-05-10 CN claimed
US-4012529-A SUBSTITUTED 4-(3-PHENYLPROPENYLIDENE)-2,5-CYCLOHEXADIENEONES AS LARVICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-03-15 US claimed
EP-1670485-A4 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP (CA) 2009-03-11 EP disclosed
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element RESVERLOGIX CORP. (CA) 2007-05-03 US disclosed
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
EP-1670485-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
WO-2005034960-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2005-04-21 WO disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 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 (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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 MAOB 183/4885AKR1B10 494/4885AKR1B1 173/4885
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element TOE1, ATF1, ELF3 MAOB 3513/4885AKR1B10 2970/4885AKR1B1 1796/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 MAOB 222/4885AKR1B10 504/4885AKR1B1 152/4885

“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.