SCHEMBL3568567

SCHEMBL3568567

O=C(C1COc2ccccc2O1)C1COc2ccccc2O1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NISCH Q9Y2I1 1/20 0.62
POLB P06746 3/20 0.59
HTT P42858 2/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALOX15 P16050 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL1300333 0.86 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL1567597 0.86 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL229498 0.86 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL566636 0.86 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL2977327 0.86 NISCH (0.71) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL29437007 0.86 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL30946854 0.86 NISCH (0.71) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL407262 0.85 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL13190877 0.85 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHPOLB
Hydrochloric Acid SCHEMBL7528728 0.85 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097192-A Retroviral protease inhibitors AMERICAN CYANAMID CO (US) 1995-01-11 CN claimed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1701951-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS Bio-Medisinsk Innovasjon AS (NO) 2006-09-20 EP disclosed
WO-2005061483-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS BIO-MEDISINSK INNOVASJON AS (NO) 2005-07-07 WO disclosed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO disclosed
CN-1097192-A Retroviral protease inhibitors AMERICAN CYANAMID CO (US) 1995-01-11 CN disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 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 (1 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-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 HPGD 2909/4885ALDH1A1 3462/4885SMN1; SMN2 2523/4885

“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.