SCHEMBL3568561

SCHEMBL3568561

O=C(C1Cc2ccccc2OO1)C1Cc2ccccc2OO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAOB P27338 6/20 0.40
AOC2 O75106 5/20 0.40
MAOA P21397 5/20 0.40
DAO P14920 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL1519282 0.87 SMN1; SMN2 (0.51) HPGDTSHRSMN1; SMN2NFKB1NFKB2
SCHEMBL5215909 0.87 HPGD (0.45) HPGDTSHRSMN1; SMN2NFKB1NFKB2
SCHEMBL3885950 0.86 HPGD (0.44) HPGDTSHRSMN1; SMN2NFKB1NFKB2
SCHEMBL16296612 0.82 POLB (0.43) HPGDTSHRSMN1; SMN2NFKB1NFKB2
SCHEMBL27730852 0.81 HPGD (0.61) HPGDTSHRSMN1; SMN2NFKB1NFKB2
SCHEMBL1519251 0.78 SIGMAR1 (0.45) HPGDTSHR
SCHEMBL28551393 0.76 LMNA (0.42) HPGDTSHRMAOBAOC2MAOA
SCHEMBL25798208 0.76 HPGD (0.53) HPGDTSHRHDAC3HDAC4HDAC1
SCHEMBL449445 0.75 MAOA (0.37) HPGDTSHRMAOBAOC2MAOA
SCHEMBL10654103 0.75 MAOB (0.39) HPGDTSHRMAOBAOC2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2909/4885TSHR 470/4885SMN1; 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.