SCHEMBL782044

SCHEMBL782044

COc1cc2c(c(O)c1OC)C(=O)C[C@@H](c1cc(O)ccc1O)O2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R31 P59538 2/20 0.74
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CYP1A1 P04798 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP1B1 Q16678 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ CYP19A1 P11511 4/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ TYR P14679 1/20 0.51
▸ PDCD1 Q15116 1/20 0.51
▸ CD274 Q9NZQ7 1/20 0.51
▸ TP53 P04637 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ XDH P47989 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50

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
SCHEMBL4225984 1.00 TAS2R31 (0.74) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL27775946 0.82 IDO1 (0.49) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL382207 0.81 TAS2R31 (0.79) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL12067074 0.81 TAS2R31 (0.83) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL12067047 0.80 TAS2R31 (0.81) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL20450286 0.78 NPC1 (0.69) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL5551104 0.78 NPC1 (0.69) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL12067049 0.78 TAS2R31 (0.74) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL12067072 0.78 TAS2R31 (0.74) TAS2R31NPC1RAB9ACYP1A1CYP1A2
SCHEMBL27775449 0.77 NPC1 (0.82) TAS2R31NPC1RAB9ACYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016075543-A1 TREATMENT OF MULTIPLE SCLEROSIS WITH COMBINATION OF LAQUINIMOD AND A PHOSPHODIESTERASE-4 (PDE4) INHIBITOR TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2016-05-19 — — WO claimed
US-20160045617-A1 TREATMENT OF PROXIMAL SPINAL MUSCULAR ATROPHY LEE JUSTIN C (US) 2016-02-18 — — US claimed
WO-2014169087-A2 TREATMENT OF PROXIMAL SPINAL MUSCULAR ATROPHY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-16 — — WO claimed
US-20140127328-A1 METHODS AND COMPOSITIONS FOR TREATING ANXIETY DISORDERS OR SYMPTOMS THEREOF PONDERA BIOTECHNOLOGIES INC. (US) 2014-05-08 — — US claimed
US-20130156874-A1 METHODS AND COMPOSITIONS FOR TREATING DISTRESS DYSFUNCTION AND ENHANCING SAFETY AND EFFICACY OF SPECIFIC MEDICATIONS Pondera Biotechnologies, LLC (US) 2013-06-20 — — US claimed
US-20120237570-A1 METHODS AND COMPOSITIONS FOR TREATING DISTRESS DYSFUNCTION AND ENHANCING SAFETY AND EFFICACY OF SPECIFIC MEDICATIONS Pondera Biotechnologies, LLC 2012-09-20 — — US claimed
WO-2011087755-A2 METHODS AND COMPOSITIONS FOR TREATING DISTRESS DYSFUNCTION AND ENHANCING SAFETY AND EFFICACY OF SPECIFIC MEDICATIONS Pondera Biotechnologies, LLC (US) 2011-07-21 — — WO claimed
US-20110159048-A1 METHODS AND COMPOSITIONS FOR TREATING DISTRESS DYSFUNCTION AND ENHANCING SAFETY AND EFFICACY OF SPECIFIC MEDICATIONS Pondera Biotechnologies, LLC 2011-06-30 — — US claimed
US-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2009-10-29 — — US claimed
EP-1877049-A2 INCLUSION COMPOUNDS OF DIOCLEIN, FLORANOL OR ANALOGS WITH CYCLODEXTRIN AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES Universidade Federal de Minas Gerais (BR) 2008-01-16 — — EP claimed
WO-2006102728-A2 INCLUSION COMPOUNDS OF DIOCLEIN, FLORANOL OR ANALOGS WITH CYCLODEXTRIN AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2006-10-05 — — WO claimed
US-12350283-B2 Methods and compositions for treating motor neuron diseases UNIVERSITAT DE VALENCIA-ESTUDI GENERAL (ES) 2025-07-08 — — US disclosed
CN-113473993-B Methods and compositions for treating motor neuron diseases 巴伦西亚大学 2024-06-04 — — CN disclosed
EP-3498297-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM STALICLA S A (CH) 2023-06-21 — — EP disclosed
US-11439627-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2022-09-13 — — US disclosed
WO-2006102728-A2 INCLUSION COMPOUNDS OF DIOCLEIN, FLORANOL OR ANALOGS WITH CYCLODEXTRIN AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2006-10-05 — — WO disclosed
WO-2006102728-A2 INCLUSION COMPOUNDS OF DIOCLEIN, FLORANOL OR ANALOGS WITH CYCLODEXTRIN AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2006-10-05 — — WO disclosed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 — — US disclosed
CN-1780823-A Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC (JP) 2006-05-31 — — CN disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 — — 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 (4 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 TAS2R31 2455/4885NPC1 955/4885RAB9A 1393/4885
US-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof PDE5A, PDE12, PDE2A TAS2R31 3553/4885NPC1 3873/4885RAB9A 2521/4885
US-20160045617-A1 TREATMENT OF PROXIMAL SPINAL MUSCULAR ATROPHY CELF2, SMN1; SMN2, GRM8 TAS2R31 1760/4885NPC1 4464/4885RAB9A 1309/4885
US-12350283-B2 Methods and compositions for treating motor neuron diseases SMN1; SMN2, NNMT, PDE4A TAS2R31 3401/4885NPC1 3534/4885RAB9A 1419/4885

“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.

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