SCHEMBL4420906

SCHEMBL4420906

[CH2]C([CH2])CCCCCCCC=C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 2/20 0.38
USP2 O75604 5/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2319479 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL757068 0.88
SCHEMBL7526836 0.80 TSHR (0.50) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL14716699 0.80 TSHR (0.50) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL5527326 0.79 TSHR (0.44) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL28405823 0.79 TSHR (0.50) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL2118181 0.79 TSHR (0.50) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL11778637 0.79 TSHR (0.44) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL304895 0.79 TSHR (0.50) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL18186951 0.78 TSHR (0.69) TSHRMAPTABCC4ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498293-B2 Alkylaminosiloxanes as corrosion inhibitors CIBA SPECIALTY CHEMICALS CORP. (US) 2009-03-03 US disclosed
US-7074906-B2 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-07-11 US disclosed
US-20050176596-A1 Alkylaminosiloxanes as corrosion inhibitors CIBA SPECIALTY CHEMICAL CORP. 2005-08-11 US disclosed
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SPECIALTY CHEMICALS CORP. 2005-03-10 US disclosed
EP-1509534-A2 ALKYLAMINOSILOXANES AS CORROSION INHIBITORS Ciba SC Holding AG (CH) 2005-03-02 EP disclosed
EP-1451254-A1 ORGANIC SOLVENT-FREE PROCESS FOR THE PREPARATION OF 2-(2-NITROPHENYLAZO)PHENOLS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
EP-1144496-B1 POLYMERIC STABILIZERS HAVING LOW POLYDISPERSITY CIBA SC HOLDING AG (CH) 2004-03-17 EP disclosed
WO-2003101947-A2 ALKYLAMINOSILOXANES AS CORROSION INHIBITORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-11 WO disclosed
US-6583245-B1 Ethylenically unsaturated compound (acrylate or acrylamide) having sterically hindered amine, hydroxyphenyl triazine, hydroxyphenylbenzotriazole or a o-hydroxy-benzophenone group; a nitroxyl free radical initiator CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-24 US disclosed
WO-2003048257-A1 ORGANIC SOLVENT-FREE PROCESS FOR THE PREPARATION OF 2-(2-NITROPHENYLAZO)PHENOLS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-12 WO disclosed
EP-1144496-A1 POLYMERIC STABILIZERS HAVING LOW POLYDISPERSITY Ciba SC Holding AG (CH) 2001-10-17 EP disclosed
WO-2000039209-A1 POLYMERIC STABILIZERS HAVING LOW POLYDISPERSITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-07-06 WO disclosed
US-6028129-A Increasing the molecular weight of polycondensates and stabilizing them, using diepoxides of sterically hindered amines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-22 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 (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-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols HPD, CYP8B1, CYP3A4 TSHR 3835/4885MAPT 1347/4885ABCC4 1762/4885

“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.