SCHEMBL9951167

SCHEMBL9951167

COc1ccc(CCC2(c3ccccc3)CC2C=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
HCRTR2 O43614 3/20 0.43
HTT P42858 1/20 0.42
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HCRTR1 O43613 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC2A1 P11166 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL9950838 0.80 HCRTR2 (0.47) CHRM5CHRM1CHRM3HCRTR2EBP
SCHEMBL9950661 0.79 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL9950858 0.77 CA12 (0.41) HCRTR2HCRTR1MAPK1ALDH1A1
SCHEMBL9951521 0.73 HCRTR2 (0.40) CHRM5CHRM1CHRM3HCRTR2HTT
SCHEMBL9952216 0.71 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL8604705 0.68 CYP19A1 (0.70) EBPSIGMAR1TMEM97KDM4EATM
SCHEMBL30173445 0.68 CYP19A1 (0.70) EBPSIGMAR1TMEM97KDM4EATM
SCHEMBL2610422 0.68 MAOB (0.34) HCRTR2HCRTR1
SCHEMBL31157848 0.66 CYP19A1 (0.77) MAPTKDM4EATMALDH1A1ABCB1
SCHEMBL16641094 0.66 CYP19A1 (0.77) MAPTKDM4EATMALDH1A1ABCB1

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
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 CHRM5 557/4885CHRM1 109/4885CHRM3 428/4885

“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.