SCHEMBL3967925

SCHEMBL3967925

CCOC(=O)CC1CCCc2cc(OC3CCCC3)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HSD17B1 P14061 1/20 0.36
PDE4B Q07343 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KMT2A Q03164 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL3965573 0.94 POLB (0.41) POLBCYP11B1CYP11B2HTR2AHTR2C
SCHEMBL3965730 0.80 PPARD (0.46) CYP11B1CYP11B2HSD17B1KDM4CMAOA
SCHEMBL3968890 0.79 CYP11B1 (0.38) CYP11B1CYP11B2HSD17B1PDE4BMAOA
SCHEMBL3964872 0.79 THRA (0.38) HTR2AHTR2CHTR2BHSD17B1THRA
SCHEMBL3965850 0.78 CYP11B1 (0.42) POLBCYP11B1CYP11B2HSD17B1PDE4B
SCHEMBL3964420 0.76 HSD17B1 (0.44) CYP11B1CYP11B2HTR2AHTR2CHTR2B
SCHEMBL3969570 0.74 PPARD (0.52) HSD17B1MAOAMAOB
SCHEMBL3961926 0.74 HTR2A (0.52) HTR2AHTR2CHSD17B1
SCHEMBL10530719 0.74 CYP4F2 (0.47) CYP11B1CYP11B2HSD17B1KDM4C
SCHEMBL3965811 0.74 CYP11B1 (0.40) CYP11B1CYP11B2HSD17B1MAOAMAOB

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 POLB 3626/4885CYP11B1 44/4885CYP11B2 47/4885

“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.