SCHEMBL5136127

SCHEMBL5136127

C=CCc1[c]c(-c2[c]c(CC=C)ccc2)ccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
AKR1B1 P15121 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL252157 0.88 GABRA1 (0.45) GABRA1GABRB2AKR1B1KDM4EMEN1
SCHEMBL15756039 0.86 GABRA1 (0.35) GABRA1GABRB2AKR1B1
SCHEMBL7477847 0.78 GABRA1 (0.47) GABRA1GABRB2AKR1B1KDM4EMEN1
SCHEMBL6739223 0.78 GABRA1 (0.38) GABRA1GABRB2AKR1B1KDM4EMEN1
SCHEMBL3365612 0.78 GABRA1 (0.38) GABRA1GABRB2AKR1B1KDM4EMEN1
SCHEMBL14631768 0.74 ALDH1A1 (0.40) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL21617926 0.71 GABRA1 (0.34) GABRA1GABRB2AKR1B1KDM4EMEN1
SCHEMBL3362979 0.71 GABRA1 (0.33) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL20778 0.68
SCHEMBL252125 0.67 GABRA1 (0.32) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392633-B1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed
US-7102033-B2 Hydroformylation of olefins with carbon monoxide and hydrogen in the presence of a rhodium-organobisphosphite complex catalyst at a partial pressure of carbon monoxide and H2; conjugated alkadiene poisoning of the catalyst is reversed by an activating pressure of hydrogen or of carbon monoxide DSM IP ASSETS B.V. (NL) 2006-09-05 US disclosed
US-7087797-B2 Continuous hydroformylation process DSM IP ASSETS B.V. (NL) 2006-08-08 US disclosed
EP-1383718-B1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS BV (NL) 2006-06-28 EP disclosed
US-20060052644-A1 Hydroformylation of olefins with carbon monoxide and hydrogen in the presence of a rhodium-organobisphosphite complex catalyst at a partial pressure of carbon monoxide and H2; conjugated alkadiene poisoning of the catalyst is reversed by an activating pressure of hydrogen or of carbon monoxide DSM I.P. ASSETS B.V. (NL) 2006-03-09 US disclosed
US-20040152924-A1 Continuous hydroformylation process DSM I.P. ASSETS B.V. (NL) 2004-08-05 US disclosed
US-20040143140-A1 Continuous process for producing an aldehyde DSM IP ASSETS B.V. (NL) 2004-07-22 US disclosed
US-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation DSM I.P. ASSETS B.V. (NL) 2004-07-15 US disclosed
EP-1392633-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP Assets B.V. (NL) 2004-03-03 EP disclosed
EP-1383717-A1 CONTINUOUS HYDROFORMYLATION PROCESS FOR PRODUCING AN ALDEHYDE DSM IP Assets B.V. (NL) 2004-01-28 EP disclosed
EP-1383728-A1 CONTINUOUS PROCESS FOR PRODUCING AN ALDEHYDE DSM IP Assets B.V. (NL) 2004-01-28 EP disclosed
WO-2002083617-A1 CONTINUOUS PROCESS FOR PRODUCING AN ALDEHYDE DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
WO-2002083613-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
WO-2002083604-A1 CONTINUOUS HYDROFORMYLATION PROCESS FOR PRODUCING AN ALDEHYDE DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed
EP-1249438-A1 Continuous hydroformylation process for producing an aldehyde DSM N.V. (NL) 2002-10-16 EP disclosed
EP-1249445-A1 Continuous process for producing an aldehyde DSM N.V. (NL) 2002-10-16 EP disclosed
EP-1249439-A1 Continuous hydroformylation process DSM N.V. (NL) 2002-10-16 EP disclosed
EP-1249444-A1 Continuous hydroformylation process for forming an aldehyde DSM N.V. (NL) 2002-10-16 EP disclosed
EP-1249441-A1 Continuous hydroformylation process DSM N.V. (NL) 2002-10-16 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 (4 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-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation VAPB, VAPA, MVD GABRA1 3194/4885GABRB2 2949/4885AKR1B1 1676/4885
US-20040143140-A1 Continuous process for producing an aldehyde ADH5, ADH1C, ADH1A GABRA1 873/4885GABRB2 433/4885AKR1B1 480/4885
US-20040152924-A1 Continuous hydroformylation process NUDT1, HMOX1, HRH4 GABRA1 2971/4885GABRB2 2614/4885AKR1B1 1600/4885
US-20060052644-A1 Hydroformylation of olefins with carbon monoxide and hydrogen in the presence of a rhodium-organobisphosphite complex catalyst at a partial pressure of carbon monoxide and H2; conjugated alkadiene poisoning of the catalyst is reversed by an activating pressure of hydrogen or of carbon monoxide HRH3, HRH1, HMOX2 GABRA1 4078/4885GABRB2 3950/4885AKR1B1 1263/4885

“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.