SCHEMBL4553361

SCHEMBL4553361

O=C(O)CC1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
HPGD P15428 3/20 0.68
ALDH1A1 P00352 3/20 0.68
POLB P06746 2/20 0.65
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
TSHR P16473 1/20 0.59
MTNR1A P48039 1/20 0.59
ALOX5 P09917 1/20 0.57
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54

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
SCHEMBL11238818 0.86 HTT (0.56) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL1568297 0.86 HTT (0.62) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL11391442 0.85 ALOX5 (0.64) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL11248569 0.85 HTT (0.60) HTTHPGDALDH1A1POLBRAB9A
Hydrochloric Acid SCHEMBL10926011 0.83 ALOX5 (0.62) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL4552435 0.83 HTT (0.55) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL7965188 0.83 HTT (1.00) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL9692477 0.81 CYP1A2 (0.63) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL11221273 0.80 CA2 (0.56) HTTHPGDALDH1A1POLBRAB9A
SCHEMBL22393113 0.79 HPGD (0.76) HTTHPGDALDH1A1RAB9ASMN1; 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084490-B2 Sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-6486171-B2 USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20020161228-A1 Piperidine compounds ADIR ET COMPAGNIE 2002-10-31 US disclosed
US-6399616-B1 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION LES LABORATOIRES SERVIER (FR) 2002-06-04 US disclosed
CN-1083451-C Process for synthesizing doxazosin mesylate GUANGDONG KANGMEI HARMACEUTICA (CN) 2002-04-24 CN disclosed
CN-1285353-A Process for synthesizing doxazosin mesylate GUANGDONG KANGMEI PHARMACEUTIC (CN) 2001-02-28 CN disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed
US-4579845-A Antihypertensive cyanoguanidines BOUCHARA S.A. (FR) 1986-04-01 US disclosed
US-4329348-A ANTIDEPRESSANTS AND PSYCHOSTIMULANTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US disclosed
EP-0004358-B1 N-OXACYCLYLALKYL PIPERIDINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS CIBA-GEIGY AG (CH) 1982-01-06 EP disclosed
US-4301171-A 2-(1,4-Benzodioxan-2-ylalkyl)benzimidazoles useful as anti-depressants SYNTEX (U.S.A.) INC. (US) 1981-11-17 US disclosed
EP-0004358-A1 N-oxacyclylalkyl piperidines, process for their preparation, pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1979-10-03 EP disclosed
US-4140781-A Analgesic and neuraleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed
US-4129655-A Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4104396-A NEUROLEPTIC, ANALGESIC CIBA-GEIGY CORPORATION (US) 1978-08-01 US disclosed
US-4039676-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-08-02 US 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 HTT 3622/4885HPGD 366/4885ALDH1A1 1590/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 HTT 3560/4885HPGD 378/4885ALDH1A1 1566/4885
US-20020161228-A1 Piperidine compounds OTC, NPPA, AQP4 HTT 1477/4885HPGD 568/4885ALDH1A1 673/4885

“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.