SCHEMBL3277069

SCHEMBL3277069

CC1=CCCc2cc(OC(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
FFAR4 Q5NUL3 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HTR6 P50406 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP3K9 P80192 1/20 0.35
MAP3K11 Q16584 1/20 0.35
PDK2 Q15119 1/20 0.35
PARP10 Q53GL7 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
MCL1 Q07820 1/20 0.33
TSPO P30536 1/20 0.33
EZH2 Q15910 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
SCHEMBL12119770 0.81 MPO (0.66) MPOALDH1A1KDM4E
SCHEMBL316976 0.81 MPO (0.66) MPOALDH1A1KDM4E
SCHEMBL4815217 0.73 MAOB (0.49) ALDH1A1MAP3K9MAP3K11BRD4BRPF1
SCHEMBL4895426 0.73 ALDH1A1 (0.44) ALDH1A1KMT2APDK2PARP10BRD4
SCHEMBL30816075 0.72 MAOB (0.58) FFAR4ALDH1A1HPGD
SCHEMBL454020 0.72 MAOB (0.58) FFAR4ALDH1A1HPGD
SCHEMBL21732515 0.71 ALDH1A1 (0.46) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL7953934 0.71 MAOB (0.55)
SCHEMBL3275944 0.71 MAOB (0.55)
SCHEMBL17028711 0.70 PARP10 (0.43) MPOPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 MPO 337/4885FFAR4 3591/4885ALDH1A1 827/4885

“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.