SCHEMBL540777

SCHEMBL540777

CCCCCC(C=C(C#N)C(=O)O)CC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
GPR84 Q9NQS5 7/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35

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
SCHEMBL18606218 0.88 KDM4E (0.35) POLBSLC16A3SLC16A1
SCHEMBL3208116 0.85 POLB (0.41) TSHRSMN1; SMN2POLBSLC16A3SLC16A1
SCHEMBL1274455 0.84 KDM4E (0.39) SLC16A3SLC16A1
SCHEMBL530510 0.81 ACE2 (0.41) POLBGPR84FFAR1MAPTLCK
SCHEMBL22092354 0.78 EP300 (0.46) TSHRSMN1; SMN2GPR84FFAR1MAPT
SCHEMBL1275723 0.77 POLB (0.39) TSHRPOLBSLC16A3SLC16A1
SCHEMBL604709 0.76 LCK (0.44) TSHRSMN1; SMN2GPR84FFAR1MAPT
SCHEMBL18556754 0.75 ZDHHC7 (0.41) SMN1; SMN2POLBGPR84FFAR1MAPT
SCHEMBL25358949 0.75 LCK (0.47) TSHRSMN1; SMN2GPR84FFAR1MAPT
SCHEMBL5826081 0.75 LCK (0.47) TSHRSMN1; SMN2GPR84FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138395-A1 PHARMACEUTICAL COMPOSITIONS OF A THERAPEUTIC POLYENE MACROLIDE AND METHODS OF THEIR USE BIOSERGEN AS (NO) 2023-05-04 US disclosed
EP-4110305-A1 PHARMACEUTICAL COMPOSITIONS OF A THERAPEUTIC POLYENE MACROLIDE AND METHODS OF THEIR USE Biosergen AS (NO) 2023-01-04 EP disclosed
EP-1647262-B2 Anhydrous cosmetic composition comprising electrophilic monomers and acid, and use for cosmetic treatment of hair OREAL (FR) 2012-02-08 EP disclosed
EP-1647262-B1 Anhydrous cosmetic composition comprising electrophilic monomers and acid, and use for cosmetic treatment of hair OREAL (FR) 2009-08-05 EP disclosed
EP-2065026-A1 Composition comprising, in an anhydrous cosmetically acceptable medium, electrophilic monomers and an acid, and its use for cosmetic treatment of hair L'Oreal (FR) 2009-06-03 EP disclosed
EP-1649898-A2 Dye composition comprising a pigment and at least one specific electrophilic monomer L'OREAL (FR) 2006-04-26 EP disclosed
EP-1649894-A2 Composition comprising electrophilic monomers and organic salts, use for treatment of keratinic materials L'OREAL (FR) 2006-04-26 EP disclosed
EP-1649896-A2 Dye composition comprising a mixtrure of pigment and electophilic monomer L'OREAL (FR) 2006-04-26 EP disclosed
EP-1649895-A2 Oxidizing composition comprising at least one electrophilic monomer and an oxidant with exception of benzoquinone L'OREAL (FR) 2006-04-26 EP disclosed
EP-1649897-A2 Dye composition comprising a pigment and at least an electrophilic monomer L'OREAL (FR) 2006-04-26 EP disclosed
EP-1647260-A1 use for cosmetic treatment of keratinic material of a composition comprising an electrophilic monomer and a non-siloxane polymer, thereby achieving a soft coating L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647264-A1 use for cosmetic treatment of keratinic material of a composition comprising an electrophilic monomer and a non-siloxane polymer, thereby achieving a rigid coating L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647259-A1 use for treatment of keratinic materials of compositions comprising electrophilic monomers and agents forming liquid crystals L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647265-A1 Use for the cosmetic treatment of keratinous material of non sticky compositions based on electrophilic monomeres and non-silicon polymers L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647258-A1 Hair care composition based on electrophilic monomers and lubricating solid micro or nano particles L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647263-A1 Double chamber aerosol device comprising electrophilic monomers and use for the cosmetic treatment of hair L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647261-A1 Composition for the treatment of keratinous material based on electrophilic monomers and salts L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647262-A1 Anhyrous cosmetic composition comprising electrophilic monomers and acid, and use for cosmetic treatment of hair L'OREAL (FR) 2006-04-19 EP 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-20230138395-A1 PHARMACEUTICAL COMPOSITIONS OF A THERAPEUTIC POLYENE MACROLIDE AND METHODS OF THEIR USE CEL, LIPA, HDAC6 TSHR 4097/4885SMN1; SMN2 744/4885POLB 3289/4885

“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.