SCHEMBL3312702

SCHEMBL3312702

COc1cc(Br)ccc1C12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN11 Q06124 1/20 0.33
NR0B2 Q15466 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL3311930 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL3309247 0.81 HDAC11 (0.43) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL13330416 0.80 SIGMAR1 (0.42) MEN1KMT2AHTR2CGRIN1GRIN2A
SCHEMBL13330411 0.75 CNR2 (0.40) ALDH1A1MEN1KMT2ATDP1PTPN11
SCHEMBL3316211 0.75 TSHR (0.30) PTPN11NR0B2TSHR
SCHEMBL3179232 0.72 MEN1 (0.45) ALDH1A1MEN1KMT2AGRIN1GRIN2A
SCHEMBL4573426 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL18184323 0.69 HDAC6 (0.46) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL18170344 0.69 HDAC6 (0.46) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL18170343 0.69 HDAC6 (0.46) ALDH1A1MEN1KMT2AKDM4ETDP1

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-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 ALDH1A1 1779/4885MEN1 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.