SCHEMBL3312705

SCHEMBL3312705

COc1cc(Br)ccc1C1C2CC3CC(C)(C2)CC1(C)C3

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 1/20 0.30
FAAH O00519 2/20 0.30
CNR2 P34972 1/20 0.30
LPAR1 Q92633 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3311939 0.91 KMT2A (0.41) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL3316213 0.78
SCHEMBL3312702 0.64 ALDH1A1 (0.35) MEN1KMT2AALDH1A1SLC6A4FAAH
SCHEMBL18123010 0.64 HTR2C (0.43) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL4748057 0.63 ALDH1A1 (0.41) MEN1KMT2AALDH1A1FAAHCNR2
SCHEMBL15300707 0.62 PRKAB2 (0.42) MEN1KMT2AALDH1A1CNR2LPAR1
SCHEMBL15300908 0.62 PRKAB2 (0.42) MEN1KMT2AALDH1A1CNR2LPAR1
SCHEMBL15300706 0.62 PRKAB2 (0.42) MEN1KMT2AALDH1A1CNR2LPAR1
SCHEMBL3311930 0.62 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SLC6A4
SCHEMBL1930627 0.62 TSHR (0.32)

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 MEN1 294/4885KMT2A 1169/4885ALDH1A1 1779/4885

“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.