SCHEMBL4419151

SCHEMBL4419151

COC(=O)C(=Cc1cc(OCc2ccccc2)c2ccccc2c1)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
APP P05067 5/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4419141 1.00 MRGPRX4 (0.44) MRGPRX4ALDH1A1HPGDKDM4EHTT
SCHEMBL5761948 0.77 MRGPRX4 (0.48) MRGPRX4ALDH1A1HPGDKDM4EHTT
SCHEMBL4421114 0.77 RAB9A (0.58) MRGPRX4ALDH1A1HPGDKDM4EHTT
SCHEMBL5607528 0.76 NR1H4 (0.62) ALDH1A1KDM4EAPPMAPTL3MBTL1
SCHEMBL5607525 0.76 NR1H4 (0.62) ALDH1A1KDM4EAPPMAPTL3MBTL1
SCHEMBL5377337 0.76 KDM4E (0.59) ALDH1A1HPGDKDM4EHTTNPC1
SCHEMBL5377339 0.76 KDM4E (0.59) ALDH1A1HPGDKDM4EHTTNPC1
SCHEMBL20975261 0.75 HPGD (0.60) MRGPRX4ALDH1A1HPGDKDM4EMAPT
SCHEMBL29679165 0.75 CA12 (0.42) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL5606853 0.72 APP (0.64) ALDH1A1HPGDKDM4EHTTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG MRGPRX4 816/4885ALDH1A1 714/4885HPGD 1214/4885

“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.