SCHEMBL3318535

SCHEMBL3318535

COc1ccc(CO)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
RARA P10276 3/20 0.52
RARB P10826 3/20 0.52
RARG P13631 3/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 1/20 0.51
HSPD1 P10809 1/20 0.51
GOT1 P17174 1/20 0.51
GLRA1 P23415 1/20 0.51
BLM P54132 1/20 0.51
HSPE1 P61604 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC11 Q96DB2 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL8846072 0.88 CNR1 (0.45) S1PR1RARARARBRARGKMT2A
SCHEMBL29462719 0.87 RARB (0.67) S1PR1RARARARBRARGKMT2A
SCHEMBL979019 0.87 RARB (0.67) S1PR1RARARARBRARGKMT2A
SCHEMBL9123144 0.85 S1PR1 (0.53) S1PR1RARARARBRARGKMT2A
SCHEMBL8693853 0.85 S1PR1 (0.50) S1PR1RARARARBRARGKMT2A
SCHEMBL8839063 0.83 S1PR1 (0.57) S1PR1RARARARBRARGKMT2A
SCHEMBL8839105 0.83 S1PR1 (0.57) S1PR1RARARARBRARGKMT2A
SCHEMBL7689501 0.83 S1PR1 (0.51) S1PR1RARARARBRARGKMT2A
SCHEMBL8839097 0.82 S1PR1 (0.53) S1PR1RARARARBRARGKMT2A
SCHEMBL9495222 0.82 RARA (0.55) S1PR1RARARARBRARGKMT2A

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 6 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
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP disclosed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP 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 S1PR1 3217/4885RARA 4739/4885RARB 4813/4885

“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.