SCHEMBL5612968

SCHEMBL5612968

CCCCCCCCCCCCCOC(=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
NAAA Q02083 1/20 0.59
EPHX1 P07099 1/20 0.55
HCAR2 Q8TDS4 2/20 0.55
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.48
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.48
ACHE P22303 6/20 0.48
DGKA P23743 1/20 0.48

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
SCHEMBL2458001 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL2458381 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL872424 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL2456649 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL2456258 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL2456609 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL3028861 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL2454311 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
SCHEMBL3021576 1.00 TSHR (0.64) TSHRNAAAEPHX1HCAR2RAD52
Ammonia Solution, Strong SCHEMBL28218677 0.98 TSHR (0.62) TSHRNAAAEPHX1HCAR2RAD52

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
US-7211687-B2 Process for making carboxyalkylates of branched alcohols UNILEVER HOME & PERSONAL CARE USA (US) 2007-05-01 US disclosed
US-20060047168-A1 Process for making carboxyalkylates of branched alcohols UNILEVER HOME & PERSONAL CARE USA 2006-03-02 US disclosed
US-6916851-B2 Microbiocides; skin disorders; aging resistance UNILEVER HOME & PERSONAL CARE USA, A DIVISION OF CONOPCO, INC. (US) 2005-07-12 US disclosed
US-20040018948-A1 Skin care cosmetic methods of sebum control using carboxyalkylates of branched alcohols and/or alkoxylates thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-29 US disclosed
WO-2004006883-A1 SKIN CARE COSMETIC COMPOSITIONS CONTAINING CARBOXYALKYLATES OF BRANCHED ALCOHOLS AND/OR ALKOXYLATES THEREOF UNILEVER PLC (GB) 2004-01-22 WO disclosed
US-20040013630-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-22 US disclosed
US-20040013631-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO 2004-01-22 US disclosed
WO-2002002067-A1 SKIN CARE COSMETIC COMPOSITIONS CONTAINING CARBOXYMETHYLATES OF BRANCHED ALCOHOLS AND/OR ETHOXYLATES THEREOF UNILEVER PLC (GB) 2002-01-10 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-20060047168-A1 Process for making carboxyalkylates of branched alcohols ADH5, ALKBH3, BCKDK TSHR 2395/4885NAAA 1272/4885EPHX1 1599/4885
US-20040018948-A1 Skin care cosmetic methods of sebum control using carboxyalkylates of branched alcohols and/or alkoxylates thereof CUTA, SCD5, LIPE TSHR 1808/4885NAAA 1276/4885EPHX1 3449/4885
US-20040013630-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof CUTA, SCD5, LIPE TSHR 2181/4885NAAA 1191/4885EPHX1 3253/4885
US-20040013631-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof CUTA, YAP1, EBP TSHR 1871/4885NAAA 1515/4885EPHX1 4114/4885

“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.