SCHEMBL733038

SCHEMBL733038

O=C(O)c1ccc(N2CCCCC2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
IP6K1 Q92551 1/20 0.61
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
MYC P01106 2/20 0.54
CTSB P07858 2/20 0.54
KLKB1 P03952 1/20 0.54
ELANE P08246 1/20 0.54
MMP9 P14780 1/20 0.54
DUSP3 P51452 1/20 0.54
PRKDC P78527 3/20 0.53
GAA P10253 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51

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
SCHEMBL10995462 0.87 PRKDC (0.56) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL7166496 0.87 PRKDC (0.56) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL1317583 0.86 IP6K1 (0.66) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL3125880 0.85 PRKDC (0.58) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL5058525 0.83 PRKDC (0.75) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL730033 0.83 KDM4E (0.59) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL14982092 0.83 NPC1 (0.49) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL2304941 0.81 IP6K1 (0.59) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2305565 0.81 IP6K1 (0.59) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL2301042 0.81 IP6K1 (0.59) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150328329-A1 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM American University of Cairo (EG) 2015-11-19 US disclosed
WO-2014081856-A2 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM AZZAZY HASSAN (EG) 2014-05-30 WO disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-20110152225-A1 PPAR-Gamma Agonists for the Induction of Cationic Antimicrobial Peptide Expression as Immunoprotective Stimulants NOGRA PHARMA LIMITED (IE) 2011-06-23 US disclosed
US-20110152225-A1 PPAR-Gamma Agonists for the Induction of Cationic Antimicrobial Peptide Expression as Immunoprotective Stimulants NOGRA PHARMA LIMITED (IE) 2011-06-23 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 US disclosed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 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 (3 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-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 ALDH1A1 2287/4885KDM4E 4603/4885HPGD 1466/4885
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 ALDH1A1 2351/4885KDM4E 4435/4885HPGD 1401/4885
US-20110152225-A1 PPAR-Gamma Agonists for the Induction of Cationic Antimicrobial Peptide Expression as Immunoprotective Stimulants PPARG, FABP2, PPARD ALDH1A1 983/4885KDM4E 4571/4885HPGD 321/4885

“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.