SCHEMBL1894871

SCHEMBL1894871

O=CC(Cc1ccccc1)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
TAAR1 Q96RJ0 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
MME P08473 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1889811 0.88 MAPT (0.41) EPHX1TAAR1MEN1KMT2APKM
SCHEMBL15141781 0.88 PPARG (0.41) EPHX1TAAR1MEN1KMT2A
SCHEMBL1894105 0.88 CYP2C9 (0.42) EPHX1TAAR1MEN1KMT2ASLC6A4
SCHEMBL15142385 0.88 MME (0.43) EPHX1TAAR1MEN1KMT2AMME
SCHEMBL15142069 0.85 TAAR1 (0.41) EPHX1TAAR1MEN1KMT2ASLC6A4
SCHEMBL15142201 0.84 PPARG (0.48) MEN1KMT2APKMSIGMAR1
SCHEMBL30780888 0.84 PNMT (0.38) EPHX1TAAR1MEN1KMT2ASIGMAR1
SCHEMBL29144749 0.84 PNMT (0.38) EPHX1TAAR1MEN1KMT2ASIGMAR1
SCHEMBL29144738 0.83 PPARG (0.43) EPHX1TAAR1MEN1KMT2ASLC6A4
SCHEMBL30780884 0.81 POLB (0.39) EPHX1TAAR1MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US claimed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US claimed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP claimed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US claimed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP claimed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO claimed
EP-2807146-B1 PREPARATION OF [ALPHA]-SULFENYLATED CARBONYL COMPOUNDS FROM PROPARGYLIC ALCOHOLS IN ONE STEP KAT2BIZ AB (SE) 2017-09-13 EP disclosed
US-20150011796-A1 PREPARATION OF [ALFA]-SULFENYLATED CARBONYL COMPOUNDS FROM PROPARGYLIC ALCOHOLS IN ONE STEP KAT2BIZ AB C/O INTERPARES KONSULT AB (SE) 2015-01-08 US disclosed
EP-2807146-A1 PREPARATION OF [ALPHA]-SULFENYLATED CARBONYL COMPOUNDS FROM PROPARGYLIC ALCOHOLS IN ONE STEP Kat2Biz AB (SE) 2014-12-03 EP disclosed
WO-2013112104-A1 PREPARATION OF [ALPHA]-SULFENYLATED CARBONYL COMPOUNDS FROM PROPARGYLIC ALCOHOLS IN ONE STEP KAT2BIZ AB (SE) 2013-08-01 WO disclosed
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US disclosed
US-7723286-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2010-05-25 US disclosed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US disclosed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP disclosed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US disclosed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 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-20040220074-A1 Compounds for a controlled release of active molecules ACLY, PTGES, NOTUM EPHX1 306/4885TAAR1 863/4885MEN1 4581/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX EPHX1 298/4885TAAR1 1346/4885MEN1 4691/4885
US-20150011796-A1 PREPARATION OF [ALFA]-SULFENYLATED CARBONYL COMPOUNDS FROM PROPARGYLIC ALCOHOLS IN ONE STEP ADH1A, ALDH1A1, ADH1C EPHX1 2248/4885TAAR1 1167/4885MEN1 2733/4885

“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.