SCHEMBL2945736

SCHEMBL2945736

CCCCCC(C(C)=O)=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
PGGT1B P53609 1/20 0.54
CES1 P23141 5/20 0.52
CES2 O00748 4/20 0.52
AKR1B1 P15121 1/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 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
Oxalic Acid SCHEMBL1013865 0.86 CES1 (0.50) THRBFNTAFNTBPGGT1BCES1
SCHEMBL29746160 0.83 FNTA (0.69) THRBFNTAFNTBPGGT1BCES1
SCHEMBL25269291 0.81 CES1 (0.45) THRBFNTAFNTBPGGT1BCES1
SCHEMBL9422367 0.81 FNTA (0.73) THRBFNTAFNTBPGGT1BCES1
SCHEMBL1963258 0.81 FNTA (0.73) THRBFNTAFNTBPGGT1BCES1
SCHEMBL28554604 0.81 FNTA (0.73) THRBFNTAFNTBPGGT1BCES1
SCHEMBL12490599 0.81 FNTA (0.73) THRBFNTAFNTBPGGT1BCES1
SCHEMBL13237244 0.81 FNTA (0.61) THRBFNTAFNTBPGGT1BCES1
SCHEMBL30912098 0.79 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL31357366 0.79 THRB (0.53) THRBFNTAFNTBPGGT1BCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US claimed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP claimed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO claimed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
US-5026918-A Synthesis of 2,3,5-trisubstituted-2-cyclopentenones via base induced cyclization of alpha-chloro unsaturated ketones PETROLITE CORPORATION (US) 1991-06-25 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 (2 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 THRB 2295/4885FNTA 869/4885FNTB 593/4885
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 THRB 3223/4885FNTA 1227/4885FNTB 557/4885

“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.