SCHEMBL13330449

SCHEMBL13330449

COc1cccc(C2(C)C3CC4CC(C3)CC2C4)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
FAAH O00519 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TSHR P16473 1/20 0.35
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL13330408 0.87 CHRM2 (0.43) CNR2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL3307015 0.79 CNR2 (0.51) CNR2MEN1KMT2ANPC1ALDH1A1
SCHEMBL18932781 0.76 CNR2 (0.46) CNR2MEN1KMT2ANPC1ALDH1A1
SCHEMBL13330461 0.72 CNR2 (0.44) CNR2MEN1KMT2AALDH1A1MAPT
SCHEMBL3313326 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL6615865 0.72 CNR2 (0.42) CNR2MEN1KMT2ANPC1ALDH1A1
SCHEMBL13330429 0.70 TRPV6 (0.47) CNR2MEN1KMT2AALDH1A1MAPT
SCHEMBL9730312 0.69 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL17323544 0.69 HSD11B1 (0.41) CNR2MEN1KMT2A
SCHEMBL7121045 0.68 TXNRD1 (0.41) MEN1KMT2ASMN1; SMN2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 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-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES AGL, MACROD1, MACROD2 CNR2 1967/4885MEN1 294/4885KMT2A 1169/4885

“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.