SCHEMBL4910196

SCHEMBL4910196

CCCCCCCCCCCCn1ccnc1C(O)(CCCC)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 2/20 0.35
HTR1A P08908 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 3/20 0.34
CNR2 P34972 3/20 0.34
HTR2B P41595 1/20 0.33
CNR1 P21554 2/20 0.33

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
SCHEMBL4900357 0.96 ALDH1A1 (0.39) TLR8MAPTHTR1AHTR2CHTR2A
SCHEMBL9378249 0.78 TLR8 (0.37) TLR8CA1CA2MAPTHTR1A
SCHEMBL4911325 0.76 TLR8 (0.37) TLR8CA1CA2MAPTHTR1A
SCHEMBL4902316 0.73 TLR8 (0.33) TLR8MAPTALDH1A1POLBKMT2A
SCHEMBL4905686 0.72 POLB (0.43) TLR8ALDH1A1POLBKMT2A
SCHEMBL4900554 0.72 MAPT (0.49) TLR8CA1CA2MAPTALDH1A1
SCHEMBL6649786 0.69 ALOX5 (0.41) TLR8CA1CA2ALDH1A1POLB
SCHEMBL4908743 0.67 MAPT (0.51) TLR8MAPTALDH1A1POLBKMT2A
SCHEMBL10730218 0.67 TLR8 (0.51) TLR8CA1CA2MAPTALDH1A1
SCHEMBL10730692 0.67 TLR8 (0.51) TLR8CA1CA2MAPTALDH1A1

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 49 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
CN-101056631-A Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction ESTEVE LABOR DR (ES) 2007-10-17 CN claimed
CN-101031291-A Compound containing methanol and composition containing at least one nsaid active substance ESTEVE LABOR DR (ES) 2007-09-05 CN claimed
CN-1976722-A Active substance combination ESTEVE LABOR DR (ES) 2007-06-06 CN 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
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
CN-1151789-C Utilization of aryl (or heteroaryl) azolylcarbinol derivatives in prepn. of medicament for treating troubles mediated by excess of substance P ��˹���IJ�ʿʵ���ҹɷ����޹�˾ 2004-06-02 CN 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 TLR8 691/4885CA1 1069/4885CA2 954/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 TLR8 164/4885CA1 645/4885CA2 292/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 TLR8 2006/4885CA1 3002/4885CA2 2039/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 TLR8 211/4885CA1 583/4885CA2 577/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI TLR8 2064/4885CA1 4770/4885CA2 2554/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 TLR8 691/4885CA1 1069/4885CA2 954/4885

“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.