SCHEMBL3965855

SCHEMBL3965855

CCOC(=O)C=C1CCc2cc(OC3CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MTNR1A P48039 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL3965854 1.00 MAOA (0.43) MAOAMAOBPPARGPPARDPPARA
SCHEMBL16048803 0.83 NQO2 (0.49) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL821438 0.83 NQO2 (0.49) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL16077452 0.79 RXRA (0.44) ESR2MEN1KMT2AMTNR1AALDH1A1
SCHEMBL3004692 0.79 CYP19A1 (0.51) KMT2ACYP19A1CYP11B1CYP11B2MTNR1A
SCHEMBL2432831 0.79 CYP19A1 (0.51) KMT2ACYP19A1CYP11B1CYP11B2MTNR1A
SCHEMBL3969341 0.77 CCNC (0.41) MAOAMAOBMEN1KMT2ACYP19A1
SCHEMBL3969339 0.77 CCNC (0.41) MAOAMAOBMEN1KMT2ACYP19A1
SCHEMBL3966174 0.76 MAOB (0.51) MAOAMAOBPPARGPPARDPPARA
SCHEMBL3966171 0.76 MAOB (0.51) MAOAMAOBPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (1 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MAOA 955/4885MAOB 880/4885PPARG 76/4885

“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.