SCHEMBL814586

SCHEMBL814586

CC(C)(C)c1cc(Cl)c(O)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
HSD17B10 Q99714 5/20 0.54
HIF1A Q16665 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
ALOX15 P16050 3/20 0.54
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ALOX12 P18054 2/20 0.54
RECQL P46063 2/20 0.54
HPGD P15428 2/20 0.54
CASP1 P29466 1/20 0.54
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CHEK1 O14757 1/20 0.46
DAPK3 O43293 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL1068524 0.88 TSHR (0.72) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL727292 0.84 TSHR (0.73) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL6321695 0.84 GABRA1 (0.52) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL29065615 0.82 TSHR (0.70) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL29065613 0.82 GABRA1 (0.50) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL9006028 0.82 ALOX15 (0.76) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL18894012 0.79 ALDH1A1 (0.43) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL23542361 0.78 ALDH1A1 (0.46) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL2474087 0.78 GABRA1 (0.46) TSHRHSD17B10HIF1ATDP1ALOX15
SCHEMBL22915643 0.78 CYP2C19 (0.38) TSHRHSD17B10HIF1ATDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000108-B2 Process for selectively polymerizing ethylene and catalyst therefor DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-07 US disclosed
US-9000108-B2 Process for selectively polymerizing ethylene and catalyst therefor DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-07 US disclosed
US-9000108-B2 Process for selectively polymerizing ethylene and catalyst therefor DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-07 US disclosed
US-20140163186-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-12 US disclosed
US-20140163186-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-12 US disclosed
US-20140163186-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-12 US disclosed
US-8609794-B2 Process for selectively polymerizing ethylene and catalyst therefor DOW GLOBAL TECHNOLOGIES, LLC. (US) 2013-12-17 US disclosed
EP-2491062-B1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-11 EP disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2491062-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR Dow Global Technologies LLC (US) 2012-08-29 EP disclosed
US-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-11-17 US disclosed
US-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-11-17 US disclosed
US-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-11-17 US disclosed
US-8030516-B2 Methods for producing perfluoroalkanedi(sulfonyl chloride) UBE INDUSTRIES, LTD. (JP) 2011-10-04 US disclosed
US-8030516-B2 Methods for producing perfluoroalkanedi(sulfonyl chloride) UBE INDUSTRIES, LTD. (JP) 2011-10-04 US disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20090105502-A1 METHODS FOR PRODUCING PERFLUOROALKANEDI(SULFONYL CHLORIDE) IM&T RESEARCH, INC. (US) 2009-04-23 US disclosed
US-20090105502-A1 METHODS FOR PRODUCING PERFLUOROALKANEDI(SULFONYL CHLORIDE) IM&T RESEARCH, INC. (US) 2009-04-23 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-20090105502-A1 METHODS FOR PRODUCING PERFLUOROALKANEDI(SULFONYL CHLORIDE) PFAS, PFKFB1, PFKFB2 TSHR 686/4885HSD17B10 1233/4885HIF1A 4204/4885
US-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR WEE2, NOTUM, WEE1 TSHR 4494/4885HSD17B10 2242/4885HIF1A 1106/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B TSHR 1823/4885HSD17B10 1679/4885HIF1A 2422/4885

“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.