SCHEMBL11887231

SCHEMBL11887231

OOOSc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
ALOX15 P16050 5/20 0.40
CYP3A4 P08684 4/20 0.40
HIF1A Q16665 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA14 Q9ULX7 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.40
GMNN O75496 1/20 0.40
CA1 P00915 1/20 0.40
TYR P14679 1/20 0.40
HPGD P15428 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
SCHEMBL837577 0.81 CYP3A4 (0.57) ALOX15CYP3A4HIF1AHSD17B10ESR1
SCHEMBL837801 0.79 CYP3A4 (0.50) NR1H2ALOX15CYP3A4HIF1AHSD17B10
SCHEMBL13252232 0.78 CYP3A4 (0.46) ALOX15CYP3A4HIF1AHSD17B10MEN1
SCHEMBL19865715 0.78 NR1H2 (0.46) NR1H2ALOX15CYP3A4HIF1AHSD17B10
SCHEMBL761140 0.78 ACHE (0.38) HSD17B10MEN1KMT2AALDH1A1CA2
SCHEMBL12193584 0.78 MAPT (0.43) ALOX15CYP3A4HSD17B10MEN1KMT2A
SCHEMBL2734944 0.78 ORAI1 (0.32) MEN1KMT2ACA2CA1CA9
SCHEMBL10099509 0.77 HPGD (0.41) ALOX15HSD17B10ALDH1A1CA2CA3
SCHEMBL583468 0.76 NR1H2 (0.55) NR1H2ALOX15CYP3A4HIF1AHSD17B10
SCHEMBL14588715 0.75 CA1 (0.48) CYP3A4ALDH1A1CA2CA14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8227621-B2 Cyanine dyes and methods of use LI-COR, INC. (US) 2012-07-24 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
US-20100080758-A1 OPTICAL FLUORESCENT IMAGING LI-COR,INC. (US) 2010-04-01 US disclosed
US-7597878-B2 Optical fluorescent imaging LI-COR, INC. (US) 2009-10-06 US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-7504089-B2 Cyanine dyes LI-COR, INC. (US) 2009-03-17 US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 US disclosed
US-7476746-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-01-13 US disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US disclosed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 US disclosed
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2008-02-21 US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-20070042398-A1 CYANINE DYES AND METHODS OF USE LI-COR, INC. (US) 2007-02-22 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 (8 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA NR1H2 15/4885ALOX15 694/4885CYP3A4 553/4885
US-20100080758-A1 OPTICAL FLUORESCENT IMAGING FCGR2A, CD69, FOLR1 NR1H2 975/4885ALOX15 1249/4885CYP3A4 3343/4885
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA NR1H2 15/4885ALOX15 694/4885CYP3A4 553/4885
US-20070042398-A1 CYANINE DYES AND METHODS OF USE CRY2, IK, CRY1 NR1H2 3067/4885ALOX15 3429/4885CYP3A4 103/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA NR1H2 15/4885ALOX15 694/4885CYP3A4 553/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA NR1H2 15/4885ALOX15 694/4885CYP3A4 553/4885
US-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 NR1H2 2208/4885ALOX15 3105/4885CYP3A4 4514/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA NR1H2 15/4885ALOX15 694/4885CYP3A4 553/4885

“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.