SCHEMBL3307015

SCHEMBL3307015

COc1cccc(C23CC4CC(CC(C4)C2)C3)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.41
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL18932781 0.90 CNR2 (0.46) CNR2IDO1TDO2MEN1KMT2A
SCHEMBL6615865 0.85 CNR2 (0.42) CNR2IDO1TDO2MEN1KMT2A
Bromide SCHEMBL1195238 0.85 CNR2 (0.46) CNR2IDO1TDO2MEN1KMT2A
SCHEMBL647856 0.84 CNR2 (0.48) CNR2IDO1TDO2MEN1KMT2A
SCHEMBL31027152 0.84 CNR2 (0.48) CNR2IDO1TDO2MEN1KMT2A
Hydrochloric Acid SCHEMBL1195892 0.81 CNR2 (0.46) CNR2IDO1TDO2MEN1KMT2A
Bromide SCHEMBL1195236 0.81 CNR2 (0.46) CNR2IDO1TDO2MEN1KMT2A
Bromide SCHEMBL1196185 0.81 CNR2 (0.46) CNR2IDO1TDO2MEN1KMT2A
Bromide SCHEMBL1196187 0.81 CNR2 (0.46) CNR2IDO1TDO2MEN1KMT2A
Hydrochloric Acid SCHEMBL1195889 0.81 CNR2 (0.46) CNR2MEN1KMT2AHTTFAAH

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
US-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 US disclosed
US-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 US disclosed
US-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 US disclosed
EP-2129679-A2 A METHOD FOR PREPARATION OF SUBSTITUTED ADAMANTYLARYLMAGNESIUM HALIDES Grindeks, a joint stock company (LV) 2009-12-09 EP disclosed
WO-2008080993-A2 A METHOD FOR PREPARATION OF SUBSTITUTED ADAMANTYLARYLMAGNESIUM HALIDES KALVINSH IVARS (LV) 2008-07-10 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 (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 1967/4885IDO1 1540/4885TDO2 727/4885

“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.