SCHEMBL7821030

SCHEMBL7821030

O=C(O)CCC(=O)c1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 4/20 0.58
MAPT P10636 1/20 0.58
CYP1A2 P05177 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP2C19 P33261 3/20 0.55
HSD17B10 Q99714 2/20 0.55
NR4A2 P43354 1/20 0.55
RAB9A P51151 2/20 0.53
HIF1A Q16665 2/20 0.53
FFAR1 O14842 1/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.53
CYP2D6 P10635 3/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
AKR1B1 P15121 1/20 0.48

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
SCHEMBL29435967 0.86 SMN1; SMN2 (0.72) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL29435966 0.86 SMN1; SMN2 (0.72) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL3527398 0.86 SMN1; SMN2 (0.72) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL9816436 0.85 SMN1; SMN2 (0.65) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL8011026 0.80 PTPN1 (0.74) ALDH1A1HPGDMAPTCYP1A2SMN1; SMN2
SCHEMBL8197165 0.80 ALDH1A1 (0.67) ALDH1A1HPGDMAPTCYP1A2SMN1; SMN2
SCHEMBL8460646 0.79 HPGD (0.55) ALDH1A1HPGDMAPTCYP1A2KDM4E
SCHEMBL2469662 0.79 ALDH1A1 (0.70) ALDH1A1HPGDMAPTCYP1A2KDM4E
SCHEMBL4453806 0.78 ALDH1A1 (0.51) ALDH1A1HPGDMAPTCYP1A2SMN1; SMN2
SCHEMBL10484311 0.78 ALDH1A1 (0.68) ALDH1A1HPGDMAPTCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009420-A1 Histamine H3 Receptor Ligands HIGH POINT PHARMACEUTICALS, LLC (US) 2011-01-13 US disclosed
US-20110009420-A1 Histamine H3 Receptor Ligands HIGH POINT PHARMACEUTICALS, LLC (US) 2011-01-13 US disclosed
WO-2009126782-A1 HISTAMINE H3 RECEPTOR LIGANDS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-15 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5780250-A Immunoassay standards for polyaromatic hydrocarbon detection STRATEGIC DIAGNOSTICS, INC. (US) 1998-07-14 US disclosed
WO-1997031267-A1 IMMUNOASSAY STANDARDS FOR POLYAROMATIC HYDROCARBON DETECTION STRATEGIC DIAGNOSTICS, INC. (US) 1997-08-28 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-20110009420-A1 Histamine H3 Receptor Ligands HRH3, HRH4, HRH2 ALDH1A1 1218/4885HPGD 806/4885MAPT 2419/4885

“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.