SCHEMBL4899064

SCHEMBL4899064

COc1cc(C(O)c2nccn2C)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
ALOX12 P18054 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
FGB P02675 1/20 0.51
TNNI3 P19429 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
BRCA1 P38398 1/20 0.51
TNNT2 P45379 1/20 0.51

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
SCHEMBL5599264 0.82 KDM4E (0.41) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL18287920 0.75 MAPT (0.56) MAPTTSHRSMN1; SMN2L3MBTL1TUBB4A
SCHEMBL9499461 0.75 KDM4E (0.69) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL8492355 0.74 KDM4E (0.59) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL11671087 0.72 L3MBTL1 (0.68) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL5705642 0.72 SMN1; SMN2 (0.34) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL4907880 0.72 FYN (0.37) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL4900328 0.71 SMN1; SMN2 (0.49) MAPTTSHRSMN1; SMN2L3MBTL1KMT2A
SCHEMBL4899087 0.69 KDM4E (0.71) KDM4EMAPTTSHRALOX15HSD17B10
SCHEMBL6651894 0.69 KDM4E (0.71) KDM4EMAPTTSHRALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-21 US claimed
EP-1786420-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-04-19 US claimed
US-20070082893-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-12 US claimed
EP-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP claimed
WO-2005097192-A9 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID ESTEVE LABOR DR (ES) 2007-01-18 WO claimed
EP-1695704-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP claimed
WO-2006087147-A2 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF FIBROMYALGIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-24 WO claimed
EP-1690537-A1 Derivatives of aryl(or heteroaryl) azolycarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-16 EP claimed
EP-1632227-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction Laboratorios del Dr. Esteve S.A. (ES) 2006-03-08 EP claimed
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic LABORATORIOS DR. ESTEVE S.A. (ES) 2006-02-23 US claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
EP-1584335-A2 Active substance combination comprising a carbinol composition and an opioid LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-12 EP claimed
US-20050222136-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed
US-20050222135-A1 Active substance combination LABORATIONS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed
EP-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed
EP-1103243-A2 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-05-30 EP claimed
EP-0289380-B1 Aryl-heteroaryl-carbinol derivatives having an analgesic activity ESTEVE LABOR DR (ES) 1994-12-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050222135-A1 Active substance combination OPRM1, OPRK1, OPRL1 KDM4E 3212/4885MAPT 2598/4885TSHR 4174/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 KDM4E 4024/4885MAPT 3540/4885TSHR 4789/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 KDM4E 3327/4885MAPT 2120/4885TSHR 594/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 KDM4E 4179/4885MAPT 3182/4885TSHR 4504/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI KDM4E 3606/4885MAPT 4495/4885TSHR 3515/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 KDM4E 3212/4885MAPT 2598/4885TSHR 4174/4885

“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.