SCHEMBL436598

SCHEMBL436598

O=CC(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL5309084 0.89 HSD11B1 (0.47) TSHRATMALDH1A1L3MBTL1MAPT
SCHEMBL11088941 0.84 ALDH1A1 (0.53) TSHRATMALDH1A1L3MBTL1MAPT
SCHEMBL21516127 0.82 GABBR2 (0.50) MAPTLMNAMAPK1CYP2C19KMT2A
SCHEMBL7537470 0.82 GABBR2 (0.50) MAPTLMNAMAPK1CYP2C19KMT2A
SCHEMBL28053808 0.82 MAPT (0.48) TSHRALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL28053810 0.80 TDP1 (0.55) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL27556646 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6136571 0.79 CYP2D6 (0.50) TSHRALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL31390336 0.78 ALDH1A1 (0.48) TSHRATMALDH1A1L3MBTL1MAPT
SCHEMBL6200667 0.78 TSHR (0.63) TSHRATMALDH1A1L3MBTL1MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed
CN-103459467-A Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO 2013-12-18 CN disclosed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
EP-1928827-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2008-06-11 EP disclosed
WO-2008031034-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-13 WO disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 WO disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B TSHR 4151/4885ATM 3896/4885ALDH1A1 2759/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 TSHR 3526/4885ATM 2274/4885ALDH1A1 4389/4885
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B TSHR 4151/4885ATM 3896/4885ALDH1A1 2759/4885

“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.