SCHEMBL2948787

SCHEMBL2948787

CCCCC(Cc1ccccc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.54
CYP1A2 P05177 1/20 0.53
PTGES O14684 2/20 0.52
ALOX5 P09917 2/20 0.52
PPARG P37231 2/20 0.52
MMP2 P08253 9/20 0.50
MMP1 P03956 4/20 0.50
MMP3 P08254 4/20 0.50
CNR2 P34972 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL8728655 1.00 FOLH1 (0.54) FOLH1CYP1A2PTGESALOX5PPARG
SCHEMBL2945682 0.95 MMP2 (0.55) FOLH1MMP2MMP1MMP3
SCHEMBL28211408 0.93 MMP2 (0.57) FOLH1MMP2MMP1MMP3
SCHEMBL5017227 0.93 MMP2 (0.57) FOLH1MMP2MMP1MMP3
SCHEMBL14520756 0.89 HDAC3 (0.59) FOLH1CYP1A2HDAC3HDAC4HDAC1
SCHEMBL5802690 0.88 FOLH1 (0.56) FOLH1CYP1A2PTGESALOX5PPARG
SCHEMBL7300579 0.88 FOLH1 (0.70) FOLH1CYP1A2PTGESALOX5PPARG
SCHEMBL27513375 0.86 FOLH1 (0.68) FOLH1CYP1A2PTGESALOX5PPARG
SCHEMBL11624296 0.86 CSNK1E (0.49) FOLH1CYP1A2PTGESALOX5PPARG
SCHEMBL13103460 0.85 HDAC8 (0.61) MMP2MMP1MMP3HDAC3HDAC4

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-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

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 FOLH1 1857/4885CYP1A2 11/4885PTGES 111/4885
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 FOLH1 2725/4885CYP1A2 11/4885PTGES 111/4885

“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.