SCHEMBL1225577

SCHEMBL1225577

COc1cc(C)cc(C)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 2/20 0.46
ABCB1 P08183 1/20 0.44
PRKDC P78527 1/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FFAR4 Q5NUL3 2/20 0.40
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37

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
SCHEMBL415683 0.89 ERN1 (0.57) ERN1ALDH1A1SMN1; SMN2ACHEPRKDC
SCHEMBL27986280 0.82 ERN1 (0.38) ERN1ALDH1A1SMN1; SMN2ACHEABCB1
SCHEMBL4099200 0.82 ERN1 (0.65) ERN1ALDH1A1PRKDCTSHRKDM4E
SCHEMBL27181737 0.80 ERN1 (0.44) ERN1ALDH1A1SMN1; SMN2PRKDCTSHR
SCHEMBL9279963 0.80 ERN1 (0.51) ERN1ALDH1A1SMN1; SMN2PRKDCTSHR
SCHEMBL5358719 0.80 ERN1 (0.68) ERN1ALDH1A1SMN1; SMN2ACHEPRKDC
SCHEMBL16675873 0.80 ERN1 (0.51) ERN1ALDH1A1SMN1; SMN2PRKDCTSHR
SCHEMBL12581710 0.80 PRKDC (0.53) ERN1ALDH1A1SMN1; SMN2ACHEPRKDC
SCHEMBL2027384 0.80 ERN1 (0.58) ERN1ALDH1A1SMN1; SMN2PRKDCTSHR
SCHEMBL4000526 0.80 ERN1 (0.38) ERN1ALDH1A1SMN1; SMN2ACHEABCB1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676728-B2 2-benzyl-benzimidazole complement factor B inhibitors and uses thereof NOVARTIS AG (CH) 2017-06-13 US disclosed
US-9676728-B2 2-benzyl-benzimidazole complement factor B inhibitors and uses thereof NOVARTIS AG (CH) 2017-06-13 US disclosed
US-9676728-B2 2-benzyl-benzimidazole complement factor B inhibitors and uses thereof NOVARTIS AG (CH) 2017-06-13 US disclosed
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-3089963-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-11-09 EP disclosed
US-20160311779-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160311779-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160311779-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
WO-2015066241-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-07 WO disclosed
US-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2334175-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-22 EP disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
WO-2010040460-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-15 WO disclosed
US-5457239-A Process for formylation of aromatic compounds UNION CAMP CORPORATION (US) 1995-10-10 US disclosed
US-4806141-A 1-OXY-2-OXIMO-3-OXO-5-PHENYL CYCLOMEXENE ICI AUSTRALIA LIMITED (AU) 1989-02-21 US disclosed
EP-0085530-B1 CYCLOHEXANE DIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1987-07-01 EP disclosed
EP-0085530-A2 Cyclohexane dione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-10 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 (3 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-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C ERN1 2591/4885ALDH1A1 2618/4885SMN1; SMN2 4217/4885
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES BCL6B, BCL6, BLK ERN1 3820/4885ALDH1A1 3788/4885SMN1; SMN2 3630/4885
US-20160311779-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF CFB, F13B, CFH ERN1 3086/4885ALDH1A1 1604/4885SMN1; SMN2 3508/4885

“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.