SCHEMBL3137385

SCHEMBL3137385

CCCCCC(=Cc1ccc(C(=O)OC)cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.47
MGLL Q99685 1/20 0.45
NPC1 O15118 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
PTPN1 P18031 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL3137370 1.00 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ELMNAALDH1A1MGLL
SCHEMBL3137378 1.00 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ELMNAALDH1A1MGLL
SCHEMBL3142273 0.83 CNR1 (0.47) KDM4EALDH1A1MAPT
SCHEMBL3142281 0.83 CNR1 (0.47) KDM4EALDH1A1MAPT
SCHEMBL3147619 0.81 LMNA (0.43) KDM4ELMNARAB9AMAPTRECQL
SCHEMBL3147631 0.81 LMNA (0.43) KDM4ELMNARAB9AMAPTRECQL
SCHEMBL3145933 0.80 TRPA1 (0.51) KDM4ELMNAMAPTNPSR1RECQL
SCHEMBL3145944 0.80 TRPA1 (0.51) KDM4ELMNAMAPTNPSR1RECQL
SCHEMBL2946253 0.79 RECQL (0.60) LMNARECQLTDP1
SCHEMBL2946252 0.79 RECQL (0.60) LMNARECQLTDP1

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 6 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
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 SMN1; SMN2 4402/4885KDM4E 2252/4885LMNA 3819/4885

“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.