SCHEMBL4459372

SCHEMBL4459372

CC(=O)Oc1c(C)c(C)c(O)c(C(C)=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
PREP P48147 2/20 0.38
CELA1 Q9UNI1 1/20 0.38
PSMG3 Q9BT73 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 3/20 0.35
HTT P42858 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 2/20 0.31
ABCB11 O95342 1/20 0.31

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
SCHEMBL4473151 0.82 CYP3A4 (0.38) CYP3A4PREPCELA1POLBKDM4E
SCHEMBL16666701 0.82 CYP3A4 (0.52) CYP3A4PSMG3POLBMAPTHPGD
SCHEMBL9507056 0.80 LMNA (0.44) PREPCELA1POLBKDM4EHTT
SCHEMBL13134484 0.78 LMNA (0.42) PREPCELA1POLBKDM4EHTT
SCHEMBL14086476 0.75 HTT (0.54) PREPCELA1POLBKDM4EHTT
SCHEMBL9532473 0.75 CYP3A4 (0.47) CYP3A4KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5838924 0.75 CYP3A4 (0.47) CYP3A4KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5865884 0.75 LMNA (0.44) PREPCELA1POLBKDM4EHTT
SCHEMBL8821099 0.74 PREP (0.42) CYP3A4PREPCELA1POLBKDM4E
SCHEMBL26797236 0.73 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10ALDH1A1HPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815809-B2 Formation of chiral 4-chromanones using chiral pyrrolidines in the presence of phenols or thiophenols DSM IP ASSETS B.V. (NL) 2017-11-14 US disclosed
EP-3016940-B1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS BV (NL) 2017-04-12 EP disclosed
US-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2016-06-16 US disclosed
EP-3016940-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP Assets B.V. (NL) 2016-05-11 EP disclosed
WO-2015001029-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2015-01-08 WO disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
CN-101115734-A Spiro derivatives as lipoxygenase inhibitors LILLY CO ELI (US) 2008-01-30 CN disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0139421-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1988-04-27 EP disclosed
US-4572912-A Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-02-25 US disclosed
EP-0139421-A1 Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-05-02 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 (2 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-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS CYP4B1, CYP4F3, CYP4F2 CYP3A4 6/4885PREP 2032/4885CELA1 1103/4885
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 CYP3A4 317/4885PREP 1528/4885CELA1 1107/4885

“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.