SCHEMBL4900554

SCHEMBL4900554

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.48
TLR8 Q9NR97 3/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 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
SCHEMBL4908743 0.95 MAPT (0.51) MAPTALDH1A1KMT2ATLR8TSHR
SCHEMBL4899064 0.79 KDM4E (0.55) MAPTALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL5616111 0.78 TLR8 (0.37) MAPTALDH1A1KMT2ATLR8SMN1; SMN2
SCHEMBL27700936 0.76 TLR8 (0.53) MAPTALDH1A1KMT2ATLR8SMN1; SMN2
SCHEMBL27925787 0.74 TLR8 (0.54) MAPTALDH1A1KMT2ATLR8SMN1; SMN2
SCHEMBL27849754 0.74 TLR8 (0.54) MAPTALDH1A1KMT2ATLR8SMN1; SMN2
SCHEMBL27700941 0.74 TLR8 (0.54) MAPTALDH1A1KMT2ATLR8SMN1; SMN2
SCHEMBL11669834 0.74 LMNA (0.57) MAPTKMT2ATLR8TDP1CYP1A2
Hydrochloric Acid SCHEMBL28836326 0.73 TLR8 (0.55) MAPTALDH1A1KMT2ATLR8SMN1; SMN2
Hydrochloric Acid SCHEMBL27943012 0.73 TLR8 (0.55) MAPTALDH1A1KMT2ATLR8SMN1; SMN2

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 51 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-1786419-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP 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-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
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
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
CN-1317966-A Use of derivatives of aryl (or heteroaryl) pyrrolylcarbinol for the manufacture of a medicament for the treatment of diseases mediated by an excess of substance P ESTEVE LABOR DR (ES) 2001-10-17 CN 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 (5 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 MAPT 2598/4885ALDH1A1 39/4885KMT2A 1439/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 MAPT 3540/4885ALDH1A1 312/4885KMT2A 3087/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 MAPT 2120/4885ALDH1A1 451/4885KMT2A 1689/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 MAPT 3182/4885ALDH1A1 137/4885KMT2A 2783/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 MAPT 2598/4885ALDH1A1 39/4885KMT2A 1439/4885

“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.