SCHEMBL1093695

SCHEMBL1093695

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc(C(OCc3ccccc3)OCc3ccccc3)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX12 P18054 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
BRCA1 P38398 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FTO Q9C0B1 10/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMAD3 P84022 1/20 0.53
PRMT1 Q99873 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP3A4 P08684 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
SCHEMBL7524436 0.85 FTO (0.56) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL1093995 0.81 HPGD (0.56) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL24943859 0.80 FTO (0.59) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL7526450 0.80 ALDH1A1 (0.59) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL5766096 0.80 FTO (0.59) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL1669688 0.79 HPGD (0.59) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL385190 0.78 HPGD (0.53) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL6547973 0.78 FTO (0.54) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL5316391 0.77 HPGD (0.51) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL6247181 0.76 FTO (0.63) HPGDALDH1A1ALOX12CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140888-B1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY VERTEX PHARMA SAN DIEGO LLC (US) 2003-05-14 EP claimed
US-8153828-B2 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation (US) 2012-04-10 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 US disclosed
US-7132252-B2 Comprises fluorophores selected from 7-hydroxycoumarin derivtives, resorufin, and a fluorescein; drug screening INVITROGEN CORPORATION (US) 2006-11-07 US disclosed
US-20030186349-A1 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation 2003-10-02 US disclosed
EP-1140888-B1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY VERTEX PHARMA SAN DIEGO LLC (US) 2003-05-14 EP disclosed
US-6514687-B1 Screening a candidate compound for activity as a Cytochrome P450 enzyme substrate by contacting the compound, enzyme, and a reagent chromogen comprising the ether of a phenolic dye such as a coumarin, resofurin or fluorescein dye VERTEX PHARMACEUTICALS (SAN DIEGO), LLC 2003-02-04 US disclosed
WO-2002004562-A2 FLUORESCEIN-BASED METAL SENSORS, AND METHODS OF MAKING AND USING THE SAME MASSACHUSSETS INSTITUTE OF TECHNOLOGY (US) 2002-01-17 WO disclosed
EP-1140888-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY Aurora Biosciences Corporation (US) 2001-10-10 EP disclosed
WO-2000035900-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY AURORA BIOSCIENCES CORPORATION (US) 2000-06-22 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 (2 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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity CYP2J2, CYP1A2, CYP2B6 HPGD 1218/4885ALDH1A1 766/4885ALOX12 53/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 HPGD 1218/4885ALDH1A1 766/4885ALOX12 53/4885

“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.