SCHEMBL3312632

SCHEMBL3312632

Brc1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
TRPV6 Q9H1D0 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.45
FAAH O00519 2/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
CCR5 P51681 4/20 0.44
ALDH1A1 P00352 2/20 0.43
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
RAB9A P51151 1/20 0.43
PTP4A3 O75365 1/20 0.43
KDM1A O60341 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL1913842 0.90 PTPN1 (0.44) SLC6A4TRPV6SMN1; SMN2MEN1KMT2A
SCHEMBL3311321 0.90 SLC6A4 (0.50) SLC6A4TRPV6SMN1; SMN2MEN1KMT2A
SCHEMBL7932567 0.87 TRPV6 (0.43) SLC6A4TRPV6SMN1; SMN2MEN1KMT2A
SCHEMBL3311180 0.84 TRPV6 (0.44) SLC6A4TRPV6SMN1; SMN2MEN1KMT2A
SCHEMBL13330395 0.83 TRPV6 (0.57) SLC6A4TRPV6SMN1; SMN2MEN1KMT2A
Water SCHEMBL27619796 0.83 TRPV6 (0.46) TRPV6SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL27906866 0.82 MEN1 (0.53) TRPV6SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL7795284 0.81 RARA (0.53) SMN1; SMN2MEN1KMT2AFAAHCNR2
SCHEMBL1914258 0.81 FAAH (0.45) TRPV6SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL28093684 0.81 MAOA (0.46) TRPV6SMN1; SMN2MEN1KMT2AMAOB

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 4 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
CN-101348439-A 6-substituted aryl -2-naphthoic acid derivative and preparation thereof NANJING MESE PHARMACEUTICAL TE (CN) 2009-01-21 CN 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 SLC6A4 897/4885TRPV6 1456/4885SMN1; SMN2 4655/4885

“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.