SCHEMBL4597874

SCHEMBL4597874

CCCCCCCCCCCCOCCCOC(O)CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.48
LPAR1 Q92633 4/20 0.44
LPAR3 Q9UBY5 4/20 0.44
LPAR2 Q9HBW0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.43
CES2 O00748 2/20 0.42
DNM1 Q05193 1/20 0.42
LPAR5 Q9H1C0 1/20 0.41
TSHR P16473 1/20 0.40
CES1 P23141 1/20 0.39
TLR2 O60603 1/20 0.38

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
SCHEMBL4599199 1.00 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL4599420 1.00 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL5833855 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL2443181 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL23038765 0.92 DNM1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL4582497 0.92 DNM1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL1095723 0.92 DNM1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL1978801 0.92 DNM1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL6021620 0.92 DNM1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL4635532 0.92 DNM1 (0.48) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343861-B1 BRANCHED PRIMARY ALCOHOL COMPOSITIONS AND DERIVATIVES THEREOF SHELL INT RESEARCH (NL) 2008-04-16 EP disclosed
US-7148375-B2 Branched primary alcohol compositions and derivatives thereof SHELL OIL COMPANY (US) 2006-12-12 US disclosed
US-7071364-B2 Branched primary alcohol compositions and derivatives thereof SHELL OIL COMPANY (US) 2006-07-04 US disclosed
US-6909020-B2 Branched primary alcohol compositions and derivatives thereof SHELL OIL COMPANY (US) 2005-06-21 US disclosed
US-6891056-B2 Branched primary alcohol compositions and derivatives thereof SHELL OIL COMPANY (US) 2005-05-10 US disclosed
US-20040198628-A1 Branched primary alcohol compositions and derivatives thereof EDWARDS CHARLES LEE (US) 2004-10-07 US disclosed
US-20040077894-A1 Branched primary alcohol compositions and derivatives thereof EDWARDS CHARLES LEE (US) 2004-04-22 US disclosed
US-20040073055-A1 Branched primary alcohol compositions and derivatives thereof EDWARDS CHARLES LEE (US) 2004-04-15 US disclosed
US-20040068133-A1 Branched primary alcohol compositions and derivatives thereof EDWARDS CHARLES LEE (US) 2004-04-08 US disclosed
US-20040067867-A1 Branched primary alcohol compositions and derivatives thereof EDWARDS CHARLES LEE (US) 2004-04-08 US disclosed
US-6706931-B2 COLD WATER SOLUBLE DETERGENTS EXHIBITING HIGH CALCIUM TOLERANCE PRODUCED FROM BIODEGRADABEL BRANCHED ETHER ALCOHOLS SHELL OIL COMPANY 2004-03-16 US disclosed
EP-1343861-A2 BRANCHED PRIMARY ALCOHOL COMPOSITIONS AND DERIVATIVES THEREOF SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-09-17 EP disclosed
US-20020151738-A1 Branched primary alcohol compositions and derivatives thereof SHELL OIL COMPANY 2002-10-17 US disclosed
WO-2002050006-A2 BRANCHED PRIMARY ALCOHOL COMPOSITIONS AND DERIVATIVES THEREOF SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-06-27 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 (4 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-20040068133-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 HTT 4839/4885MEN1 3039/4885THRB 3949/4885
US-20020151738-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 HTT 4839/4885MEN1 3039/4885THRB 3949/4885
US-20040077894-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 HTT 4839/4885MEN1 3039/4885THRB 3949/4885
US-20040073055-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 HTT 4839/4885MEN1 3039/4885THRB 3949/4885

“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.