SCHEMBL2939732

SCHEMBL2939732

CCCCCC(CC1CCCO1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 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
SCHEMBL29191695 0.88 GRIK1 (0.43) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL759964 0.80 SLC6A5 (0.40) HPGDKMT2AALDH1A1MEN1
SCHEMBL16344666 0.80 SLC6A5 (0.40) HPGDKMT2AALDH1A1MEN1
SCHEMBL759963 0.80 SLC6A5 (0.40) HPGDKMT2AALDH1A1MEN1
SCHEMBL9864083 0.80 LMNA (0.42) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL20746965 0.79 HPGD (0.54) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL20787067 0.79 TSHR (0.38) USP2SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL28942381 0.78 MEN1 (0.40) HPGDKMT2AALDH1A1MEN1
SCHEMBL3143573 0.76 ALDH1A1 (0.49) TP53KMT2AALDH1A1
SCHEMBL3904244 0.75 ALDH1A1 (0.59) KMT2AALDH1A1

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-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
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

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 USP2 2134/4885SMN1; SMN2 4402/4885TP53 864/4885

“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.