SCHEMBL3962205

SCHEMBL3962205

O=C(O)/C=C1\CCc2cc(OCc3ccccc3)c(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
PTGER1 P34995 6/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ALOX5 P09917 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
IKBKB O14920 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
S1PR1 P21453 1/20 0.36
GSTP1 P09211 1/20 0.36

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
SCHEMBL3962209 1.00 MCL1 (0.39) MCL1PTGER1CYP19A1CYP11B1CYP11B2
SCHEMBL3968839 0.82 MAOB (0.48) MCL1CYP19A1CYP11B1CYP11B2ALOX5
SCHEMBL3968829 0.80 FFAR4 (0.39) CYP19A1CYP11B1CYP11B2IKBKBFFAR4
SCHEMBL3968833 0.80 FFAR4 (0.39) CYP19A1CYP11B1CYP11B2IKBKBFFAR4
SCHEMBL3411631 0.76 MAOB (0.57) RXRARXRBRXRGMRGPRX4NPC1
SCHEMBL3411634 0.76 MAOB (0.57) RXRARXRBRXRGMRGPRX4NPC1
SCHEMBL3450181 0.76 MAOB (0.57) RXRARXRBRXRGMRGPRX4NPC1
SCHEMBL3450180 0.76 MAOB (0.57) RXRARXRBRXRGMRGPRX4NPC1
SCHEMBL3969341 0.70 CCNC (0.41) CYP19A1CYP11B1CYP11B2NPC1MAPT
SCHEMBL3884456 0.69 FFAR1 (0.60) PTGER1PTGER4PTGER3PTGER2FFAR4

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 MCL1 3468/4885PTGER1 7/4885CYP19A1 492/4885

“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.