SCHEMBL1542833

SCHEMBL1542833

CCC(C)(C)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 3/20 0.61
ALOX15 P16050 2/20 0.61
ALOX12 P18054 2/20 0.61
CYP3A4 P08684 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
CASP1 P29466 1/20 0.61
RECQL P46063 1/20 0.61
CYP2C9 P11712 3/20 0.49
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 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
SCHEMBL22320322 0.88 TSHR (0.48) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL31063252 0.87 TSHR (0.47) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL1238197 0.83 TSHR (0.61) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL10805539 0.80 ESR1 (0.61) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL22893508 0.79 TSHR (0.57) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL26632606 0.79 TSHR (0.40) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL21654203 0.78 MAPT (0.42) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL574124 0.78 ALOX15 (0.58) TSHRHIF1AHSD17B10ALOX15ALOX12
SCHEMBL1538639 0.77 ESR1 (0.64) ALDH1A1CYP2C9CYP1A2CYP2C19CA1
SCHEMBL6356832 0.77 ESR1 (0.41) HIF1AHSD17B10ALOX15CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61030583-A None JP disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
CN-102099335-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2011-06-15 CN 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
JP-S6130583-A 2,6-DIBROMO-4-TERT-ALKYLPHENYL GLYCIDYL ETHER AND ITS PREPARATION SANYO KOKUSAKU PULP CO LTD 1986-02-12 JP 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 (1 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B TSHR 1823/4885HIF1A 2422/4885HSD17B10 1679/4885

“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.