SCHEMBL8255657

SCHEMBL8255657

CCCCOc1ccc(CC2COCC(=O)N2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4A O75164 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 4/20 0.43
CRBN Q96SW2 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.41
PDE4A P27815 2/20 0.41
MAPK1 P28482 2/20 0.41
PDE4D Q08499 2/20 0.41
TNF P01375 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE3B Q13370 1/20 0.41

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
SCHEMBL30888756 0.84 GLA (0.47) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL16767343 0.84 GLA (0.47) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL16767344 0.84 GLA (0.47) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL4229835 0.81 MEN1 (0.49) KMT2AKDM4CLMNAMEN1CYP1A2
SCHEMBL13854936 0.78 ALDH1A1 (0.37) POLBNPC1MAPTMAPK1CYP3A4
SCHEMBL18577187 0.76 MAOB (0.40) LMNAHTTMAOB
SCHEMBL4229753 0.76 CAPN1 (0.38) KMT2AGAA
SCHEMBL1177018 0.76 CACNA1C (0.34) POLBNPC1MAPT
SCHEMBL12733128 0.76 GAA (0.51) POLBKMT2AKDM4AUSP2ALOX15
SCHEMBL15107368 0.76 GAA (0.51) POLBKMT2AKDM4AUSP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 WO 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 POLB 3756/4885KMT2A 4240/4885KDM4A 4489/4885
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 POLB 4263/4885KMT2A 1426/4885KDM4A 480/4885

“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.