SCHEMBL3151012

SCHEMBL3151012

CCCCC/C(=C\c1cccc(C)c1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
GPX4 P36969 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
FBP1 P09467 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL3151020 1.00 LMNA (0.42) LMNARECQLTDP1CYP1A2POLB
SCHEMBL3151708 0.84 MAPT (0.45) LMNARECQLTDP1CYP1A2POLB
SCHEMBL3151711 0.84 MAPT (0.45) LMNARECQLTDP1CYP1A2POLB
SCHEMBL2946252 0.83 RECQL (0.60) LMNARECQLTDP1CYP2C9CES2
SCHEMBL2946253 0.83 RECQL (0.60) LMNARECQLTDP1CYP2C9CES2
SCHEMBL3145879 0.82 EPHX2 (0.49) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL3145890 0.82 EPHX2 (0.49) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL3147619 0.82 LMNA (0.43) LMNARECQLTDP1CES2CES1
SCHEMBL2941695 0.82 TDP1 (0.60) LMNARECQLTDP1CYP2C9CES2
SCHEMBL2941701 0.82 TDP1 (0.60) LMNARECQLTDP1CYP2C9CES2

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 LMNA 3819/4885RECQL 3116/4885TDP1 2721/4885

“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.