SCHEMBL9950838

SCHEMBL9950838

COc1ccc(CCC2(c3ccccc3)CC2CO)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.47
HCRTR1 O43613 2/20 0.47
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ADRB2 P07550 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL9951167 0.80 CHRM5 (0.43) HCRTR2HCRTR1CHRM5CHRM1CHRM3
SCHEMBL9951137 0.79 HCRTR2 (0.71) HCRTR2HCRTR1
SCHEMBL9951521 0.79 HCRTR2 (0.40) HCRTR2HCRTR1CHRM5CHRM1CHRM3
SCHEMBL9950639 0.75 HCRTR2 (0.44) HCRTR2HCRTR1CA9CA12ALDH1A1
SCHEMBL9952216 0.72 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL2117104 0.70 HCRTR2 (0.39) HCRTR2HCRTR1SIGMAR1
SCHEMBL9950483 0.69 MAPT (0.38) MEN1KMT2AKDM4EALDH1A1
SCHEMBL9950472 0.69 OPRK1 (0.55)
SCHEMBL8604705 0.69 CYP19A1 (0.70) CA2KMT2AEBPSIGMAR1TMEM97
SCHEMBL2119239 0.69 OPRK1 (0.55)

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 HCRTR2 1/4885HCRTR1 2/4885CHRM5 557/4885

“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.