SCHEMBL4900937

SCHEMBL4900937

O=C(Cl)c1ccc(O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
ESR1 P03372 1/20 0.47
SLC22A12 Q96S37 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 0.41
SNCA P37840 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PTGS2 P35354 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GCGR P47871 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
SCHEMBL11403497 0.83 ALOX15 (0.48) ALOX15ESR1SLC22A12HDAC6MAPT
SCHEMBL29748630 0.82 ALDH1A1 (0.53) ALOX15ESR1SLC22A12HDAC6MAPT
SCHEMBL7683262 0.82 MAPT (0.40) HDAC6MAPTCA1CA2TTR
SCHEMBL30436340 0.80 CA12 (0.64) ALOX15ESR1MAPTSNCAKDM4E
SCHEMBL312791 0.80 CA12 (0.64) ALOX15ESR1MAPTSNCAKDM4E
SCHEMBL10882023 0.80 ALDH1A1 (0.38) MAPTCA1CA2TTRCES2
SCHEMBL8484882 0.79 CA12 (0.62) HDAC6MAPTSNCAKDM4ECA12
SCHEMBL2268166 0.78 ALDH1A1 (0.37) ALOX15MAPTCA1CA2L3MBTL1
SCHEMBL2964948 0.78 TSHR (0.43) MAPTKDM4EALDH1A1
SCHEMBL985272 0.78 PKM (0.55) ALOX15ESR1MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 ALOX15 2153/4885ESR1 2898/4885SLC22A12 446/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 ALOX15 1250/4885ESR1 3109/4885SLC22A12 260/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 ALOX15 1106/4885ESR1 4648/4885SLC22A12 371/4885

“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.