SCHEMBL3146499

SCHEMBL3146499

CCCCC/C(=C\C(C)(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
AKR1B1 P15121 1/20 0.38
FAAH O00519 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36

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
SCHEMBL3152100 1.00 POLB (0.41) POLBPOLA1CES2CES1AKR1B1
SCHEMBL3146495 1.00 POLB (0.41) POLBPOLA1CES2CES1AKR1B1
SCHEMBL28107310 0.83 FAAH (0.46) POLBPOLA1CES2CES1FAAH
SCHEMBL29643092 0.81 POLB (0.46) POLBPOLA1CES2CES1AKR1B1
SCHEMBL28107638 0.80 FAAH (0.43) POLBPOLA1CES2CES1FAAH
SCHEMBL28107605 0.80 FAAH (0.43) POLBPOLA1CES2CES1FAAH
SCHEMBL9472067 0.79 POLB (0.49) POLBPOLA1CES2CES1FAAH
SCHEMBL9312471 0.79 POLB (0.44) POLBPOLA1CES2CES1AKR1B1
SCHEMBL29024057 0.79 POLB (0.49) POLBPOLA1CES2CES1FAAH
SCHEMBL29117641 0.79 POLB (0.49) POLBPOLA1CES2CES1FAAH

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 9 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-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions 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
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS 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

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-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 POLB 765/4885POLA1 463/4885CES2 95/4885

“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.