SCHEMBL7106910

SCHEMBL7106910

Oc1ccccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
BCL2L1 Q07817 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 2/20 0.43
NFKB1 P19838 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.40
IDO1 P14902 1/20 0.40
DHODH Q02127 1/20 0.40
NUDT1 P36639 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
SCHEMBL10612519 0.86 TSHR (0.54) TSHRALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL9796905 0.84 TSHR (0.60) TSHRALDH1A1HPGDHSD17B10ALOX15
SCHEMBL29807938 0.83 ALDH1A1 (0.62) TSHRALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL1022489 0.83 ALDH1A1 (0.62) TSHRALDH1A1HPGDHSD17B10BCL2L1
Water SCHEMBL9697542 0.83 CYP3A4 (0.48) TSHRALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL440943 0.83 TSHR (0.52) TSHRNFKB1CYP3A4MAPK1NOTUM
SCHEMBL28836550 0.82 TSHR (0.62) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL1513821 0.82 TSHR (0.62) TSHRALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL18516201 0.81 ALDH1A1 (0.59) TSHRALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL381601 0.80 CYP2A6 (0.52) TSHRALDH1A1HPGDKMT2ASMN1; SMN2

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-6458993-B1 AROMATIC CYANATE ESTER COMPOUNDS HAVING AT LEAST TWO RINGS LINKED BY AN UNSATURATED GROUP CONTAINING MEMBER CAN BE EMPLOYED IN ADHESIVES, COMPOSITES, LAMINATES AND MOLDINGS VANTICO INC. 2002-10-01 US claimed
US-20020055648-A1 Cyanate esters having flame resistant properties JPMORGAN CHASE BANK, N.A. 2002-05-09 US claimed
EP-1161414-B1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES VANTICO AG (CH) 2003-10-01 EP disclosed
US-6458993-B1 AROMATIC CYANATE ESTER COMPOUNDS HAVING AT LEAST TWO RINGS LINKED BY AN UNSATURATED GROUP CONTAINING MEMBER CAN BE EMPLOYED IN ADHESIVES, COMPOSITES, LAMINATES AND MOLDINGS VANTICO INC. 2002-10-01 US disclosed
US-20020055648-A1 Cyanate esters having flame resistant properties JPMORGAN CHASE BANK, N.A. 2002-05-09 US disclosed
CN-1343199-A Cyanate esters having flame resistant properties VANTICO AG (CH) 2002-04-03 CN disclosed
EP-1161414-A1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES Vantico AG (CH) 2001-12-12 EP disclosed
US-6242638-B1 FIREPROOFING USING CURED MIXTURES VANTICO INC. 2001-06-05 US disclosed
WO-2000055123-A1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES VANTICO AG (CH) 2000-09-21 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 (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-20020055648-A1 Cyanate esters having flame resistant properties PCCA, FABP4, MCCC2 TSHR 4633/4885ALDH1A1 1536/4885HPGD 3359/4885

“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.