Sugi Predict

Sugi Predict / Compounds / SCHEMBL810045

SCHEMBL810045

SCHEMBL810045

COC(=O)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ ALDH1A1 P00352 3/20 0.62
▸ MAOB P27338 1/20 0.61
▸ PLA2G4B P0C869 1/20 0.60
▸ NR4A1 P22736 1/20 0.60
▸ NR4A2 P43354 1/20 0.60
▸ NR4A3 Q92570 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58

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
SCHEMBL13918253 0.91 FFAR1 (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1MAOB
SCHEMBL544051 0.86 ALOX15 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
Benzene SCHEMBL28258789 0.86 ALOX15 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL392863 0.85 ALOX5 (0.66) RAB9ASMN1; SMN2NPC1ALDH1A1MAOB
SCHEMBL12534490 0.85 GAA (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1MAOB
SCHEMBL2830303 0.85 KMT2A (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1MAOB
SCHEMBL8480692 0.85 L3MBTL1 (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL1959413 0.84 ALOX15 (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL28313123 0.84 ALOX15 (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL23605967 0.84 PTGS2 (0.68) RAB9ANPC1ALDH1A1MAOBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 — — US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 — — US disclosed
CN-104220058-A Serine racemase inhibitor NAT UNIV CORP UNIV TOYAMA 2014-12-17 — — CN disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 — — EP disclosed
US-8436201-B2 Functionalized diphenolics and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-05-07 — — US disclosed
US-8436201-B2 Functionalized diphenolics and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-05-07 — — US disclosed
US-8436201-B2 Functionalized diphenolics and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-05-07 — — US disclosed
US-20130041045-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2013-02-14 — — US disclosed
US-20130041045-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2013-02-14 — — US disclosed
US-20130041045-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2013-02-14 — — US disclosed
US-20070141113-A1 UNSYMMETRICAL AROMATIC ETHER DIACIDS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2007-06-21 — — US disclosed
US-20070141113-A1 UNSYMMETRICAL AROMATIC ETHER DIACIDS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2007-06-21 — — US disclosed
US-20070135355-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2007-06-14 — — US disclosed
US-20070135355-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2007-06-14 — — US disclosed
US-20070135355-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2007-06-14 — — US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 — — EP disclosed
US-20060173065-A1 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC 2006-08-03 — — US disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 — — US disclosed
EP-0042750-A2 Quinoxalinyloxy ethers as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 — — 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 (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-20140371291-A1 SERINE RACEMASE INHIBITOR SRR, PRSS1, ME1 RAB9A 1769/4885SMN1; SMN2 967/4885NPC1 2770/4885
US-20130041045-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM DDT, DHCR7, NOTUM RAB9A 4767/4885SMN1; SMN2 4867/4885NPC1 2505/4885
US-20070135355-A1 FUNCTIONALIZED DIPHENOLICS AND ABSORBABLE POLYMERS THEREFROM DDT, DHCR7, NOTUM RAB9A 4767/4885SMN1; SMN2 4867/4885NPC1 2505/4885
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT RAB9A 1656/4885SMN1; SMN2 402/4885NPC1 2118/4885
US-20060173065-A1 Functionalized phenolic esters and amides and polymers therefrom HAAO, HAO2, HCAR3 RAB9A 4262/4885SMN1; SMN2 3142/4885NPC1 3222/4885

“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.