SCHEMBL2945682

SCHEMBL2945682

CCCCCC(Cc1ccccc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.55
MMP3 P08254 12/20 0.55
MMP1 P03956 10/20 0.55
FOLH1 Q04609 1/20 0.53
CSNK1E P49674 1/20 0.53
MMP7 P09237 6/20 0.52
BIRC2 Q13490 1/20 0.52

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
SCHEMBL5017227 0.98 MMP2 (0.57) MMP2MMP3MMP1FOLH1CSNK1E
SCHEMBL28211408 0.98 MMP2 (0.57) MMP2MMP3MMP1FOLH1CSNK1E
SCHEMBL2948787 0.95 FOLH1 (0.54) MMP2MMP3MMP1FOLH1
SCHEMBL8728655 0.95 FOLH1 (0.54) MMP2MMP3MMP1FOLH1
SCHEMBL10778624 0.88 FOLH1 (0.68) MMP2MMP3MMP1FOLH1CSNK1E
SCHEMBL14520756 0.88 HDAC3 (0.59) FOLH1
SCHEMBL10955140 0.87 FOLH1 (0.66) MMP2MMP3MMP1FOLH1CSNK1E
SCHEMBL3242850 0.87 FOLH1 (0.66) MMP2MMP3MMP1FOLH1CSNK1E
SCHEMBL9655121 0.87 FOLH1 (0.66) MMP2MMP3MMP1FOLH1CSNK1E
SCHEMBL9653477 0.87 FOLH1 (0.66) MMP2MMP3MMP1FOLH1CSNK1E

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 15 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
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds 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
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-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
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 MMP2 414/4885MMP3 551/4885MMP1 1898/4885
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 MMP2 1658/4885MMP3 932/4885MMP1 1997/4885

“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.