SCHEMBL3752087

SCHEMBL3752087

C=C(COCC(=C)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.50
MAOB P27338 6/20 0.50
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
MGMT P16455 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CES1 P23141 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL194628 0.87 ALDH1A1 (0.44) MAOAMAOBMAPTALDH1A1KDM4E
SCHEMBL21596609 0.85 TSHR (0.54) MAOAMAOBSMN1; SMN2MAPTALDH1A1
SCHEMBL13295231 0.85 MAOA (0.42) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL8621299 0.83 ALDH1A1 (0.42) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL10478163 0.83 MAOA (0.41) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL4828670 0.83 MAOA (0.41) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL9330920 0.83 MAOA (0.48) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL7766571 0.82 MAOA (0.40) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL331105 0.82 SMN1; SMN2 (0.43) MAOAMAOBCDK1CCNB1MGMT
SCHEMBL58239 0.81 MAOA (0.47) MAOAMAOBMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754252-B2 Asymmetric cyclization processes using unsaturated nitro compounds NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-06-17 US disclosed
US-20130096338-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-04-18 US disclosed
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-25 US disclosed
US-5015613-A Free radical catalyst of molybdenum compound MONSANTO COMPANY (US) 1991-05-14 US disclosed
US-5010154-A Using fluorodiketone or fluoroketoester MONSANTO COMPANY (US) 1991-04-23 US disclosed
EP-0210158-B1 SURFACE COATING PROCESS Monsanto Company (US) 1990-08-29 EP disclosed
US-4945143-A TRIFLUOROACETIC ACID STABILIZER MONSANTO COMPANY (US) 1990-07-31 US disclosed
US-4904738-A EXTENDED POT LIFE WITH MOLYBDENUM CATALYST; FREE RADICAL POLYMERIZABEL COMPONENTS; DISCOLORATION INHIBITION MONSANTO COMPANY (US) 1990-02-27 US disclosed
US-4894356-A FREE RADICAL CATALYSTS, POLYMERIZATION CATALYSTS MONSANTO COMPANY (US) 1990-01-16 US disclosed
US-4861668-A Process for coating urethane substrates MONSANTO COMPANY (US) 1989-08-29 US disclosed
US-4839325-A FLUORINATED, 2,4 PENTADIONE AND FATTY ACID METAL SALT; INCREASED POT LIFE MONSANTO COMPANY (US) 1989-06-13 US disclosed
US-4826923-A Allyloxy activated surface coatings MONSANTO COMPANY (US) 1989-05-02 US disclosed
US-4816535-A FREE RADICAL-POLYMERIZABLE COMPOUND, FUGITIVE ACID-STABILIZED METAL DRIER AND PEROXIDE INITIATOR MONSANTO COMPANY (US) 1989-03-28 US disclosed
US-4810757-A MODERATED METAL DRIER MONSANTO COMPANY (US) 1989-03-07 US disclosed
EP-0296141-A2 Allyloxy activated surface coatings Monsanto Company (US) 1988-12-21 EP disclosed
EP-0296140-A2 Allyloxy-activated surface coatings Monsanto Company (US) 1988-12-21 EP disclosed
US-4778864-A COATINGS WITH FREE RADICAL POLYMERIZABLE COMPOUNDS AND ALLYLOXY COMPOUNDS; LONG POT LIFE MONSANTO COMPANY (US) 1988-10-18 US disclosed
EP-0273025-A2 Stabilized metal drier MONSANTO COMPANY (US) 1988-06-29 EP disclosed
US-4670308-A FREE RADICAL POLYMERIZATION MONSANTO COMPANY (US) 1987-06-02 US disclosed
EP-0210158-A1 Surface coating process Monsanto Company (US) 1987-01-28 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 (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-20130096338-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 MAOA 1031/4885MAOB 455/4885CDK1 440/4885
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 MAOA 1031/4885MAOB 455/4885CDK1 440/4885

“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.