SCHEMBL1163475

SCHEMBL1163475

COc1c(Br)cc(F)c2[nH]cc(CC(=O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TSHR P16473 3/20 0.37
THRB P10828 7/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
DNMT1 P26358 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TPMT P51580 1/20 0.35
THRA P10827 5/20 0.35

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
SCHEMBL12559137 0.89 MTNR1A (0.38) MTNR1AMTNR1BHSD17B10MEN1MAPT
SCHEMBL1163403 0.86 MTNR1A (0.34) MTNR1AMTNR1BHSD17B10MEN1POLB
SCHEMBL1163353 0.85 KMT2A (0.41) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL12874846 0.77 THRB (0.50) KDM4ETSHRTHRBMTNR1AMTNR1B
SCHEMBL1163307 0.75 THRB (0.45) KDM4ETSHRTHRBALDH1A1MEN1
SCHEMBL22775602 0.72 HTR2A (0.46) KDM4ETSHRTHRBHSD17B10POLB
SCHEMBL1163197 0.72 MTNR1A (0.42) MTNR1AMTNR1BFABP4FABP5
SCHEMBL1163682 0.70 THRB (0.41) KDM4ETSHRTHRBALDH1A1MEN1
SCHEMBL6510009 0.70 CYP1A2 (0.44) KDM4ETSHRTHRBALDH1A1MEN1
SCHEMBL29431303 0.69 HSD17B10 (0.47) TSHRMTNR1AMTNR1BHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT KDM4E 2857/4885TSHR 3368/4885THRB 2538/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT KDM4E 2857/4885TSHR 3368/4885THRB 2538/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT KDM4E 2857/4885TSHR 3368/4885THRB 2538/4885

“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.