SCHEMBL4599498

SCHEMBL4599498

CCCCCCCCCC(C)COCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
SPHK1 Q9NYA1 1/20 0.45
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACE2 Q9BYF1 1/20 0.42
PLA2G2C Q5R387 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LPAR5 Q9H1C0 4/20 0.39
LPAR6 P43657 3/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR4 Q99677 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39

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
SCHEMBL8955847 0.95 USP2 (0.53) USP2HTTMEN1KMT2ATHRB
SCHEMBL25757742 0.91 HTT (0.53) USP2HTTMEN1KMT2ATHRB
SCHEMBL25757747 0.91 HTT (0.53) USP2HTTMEN1KMT2ATHRB
SCHEMBL8956138 0.89 USP2 (0.50) USP2HTTMEN1KMT2ATHRB
SCHEMBL18110421 0.88 USP2 (0.52) USP2HTTMEN1KMT2ATHRB
SCHEMBL29053365 0.87 MEN1 (0.60) USP2HTTMEN1KMT2ATHRB
SCHEMBL3586541 0.87 MEN1 (0.60) USP2HTTMEN1KMT2ATHRB
SCHEMBL13459002 0.87 MEN1 (0.60) USP2HTTMEN1KMT2ATHRB
SCHEMBL29356122 0.87 MEN1 (0.60) USP2HTTMEN1KMT2ATHRB
SCHEMBL18512359 0.84 HTT (0.43) USP2HTTMEN1KMT2ATHRB

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 USP2 2535/4885HTT 4839/4885MEN1 3039/4885
US-20020151738-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 USP2 2535/4885HTT 4839/4885MEN1 3039/4885
US-20040077894-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 USP2 2535/4885HTT 4839/4885MEN1 3039/4885
US-20040073055-A1 Branched primary alcohol compositions and derivatives thereof ADH1A, ADH1C, ADH5 USP2 2535/4885HTT 4839/4885MEN1 3039/4885

“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.