SCHEMBL3358287

SCHEMBL3358287

COC(=O)Cc1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
ABCC4 O15439 1/20 0.52
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL1428025 0.91 LMNA (0.62) CYP4F2CYP4A11LMNAGAAABCC4
SCHEMBL27549013 0.87 CYP4F2 (0.56) CYP4F2CYP4A11GAATSHRHPGD
SCHEMBL19068065 0.85 CYP4F2 (0.54) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL5109307 0.85 KDM4E (0.58) CYP4F2CYP4A11LMNAGAATSHR
SCHEMBL3361035 0.85 SLC7A5 (0.54) CYP4F2CYP4A11LMNAGAATSHR
SCHEMBL12869880 0.85 CYP4F2 (0.54) CYP4F2CYP4A11LMNATSHRHTT
SCHEMBL3357146 0.85 GAA (0.55) CYP4F2CYP4A11LMNAGAAABCC4
SCHEMBL6237354 0.84 ALDH1A1 (0.54) CYP4F2CYP4A11LMNAGAAHTT
SCHEMBL16220780 0.84 RXRA (0.66) CYP4F2CYP4A11LMNAGAAHTT
SCHEMBL6242055 0.84 NCOA1 (0.51) CYP4F2CYP4A11LMNAGAAHTT

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-7687482-B2 Bisphosphonate compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-30 US disclosed
EP-2001486-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-17 EP disclosed
US-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 US disclosed
WO-2007109585-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-09-27 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-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FDPS, GGPS1, FNTB CYP4F2 3486/4885CYP4A11 2758/4885LMNA 4162/4885

“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.