SCHEMBL3188229

SCHEMBL3188229

CCCCCCCCCCCCCCCc1cc([N+](=O)[O-])cc(OC(C)=O)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.59
PPARG P37231 3/20 0.59
ALOX5 P09917 2/20 0.44
PTGES O14684 2/20 0.42
TOP2A P11388 1/20 0.42
PTPN1 P18031 1/20 0.42
PPARD Q03181 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
PLK1 P53350 1/20 0.39

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
SCHEMBL3191778 0.81 CA1 (0.56) PPARAPPARGPTGESTOP2APTPN1
SCHEMBL3181480 0.78 PPARA (0.49) PPARAPPARGALOX5PTGESTOP2A
SCHEMBL7733830 0.78 ESR1 (0.44) PPARAPTGESTOP2APTPN1ALDH1A1
SCHEMBL3184922 0.76 PPARA (0.56) PPARAPPARGPPARDTDP1BID
SCHEMBL3181315 0.76 PPARA (0.56) PPARAPPARGALOX5PTGESTOP2A
SCHEMBL11119806 0.75 ALDH1A1 (0.50) ALOX5ALDH1A1TDP1
SCHEMBL3181471 0.75 PPARA (1.00) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL17048086 0.74 ALDH1A1 (0.49) ALDH1A1TDP1
SCHEMBL17048085 0.74 ALDH1A1 (0.49) ALDH1A1TDP1
SCHEMBL3180098 0.74 PPARA (0.44) PPARAPPARGALOX5PTGESTOP2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016630-A1 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME UNICHEM LABORATORIES LTD. (IN) 2010-01-21 US claimed
WO-2008062436-A2 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME UNICHEM LABORATORIES LTD. (IN) 2008-05-29 WO claimed
US-8338638-B2 Antimicrobial derivatives of anacardic acid and process for preparing the same UNICHEM LABORATORIES LTD. (IN) 2012-12-25 US disclosed
US-20100016630-A1 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME UNICHEM LABORATORIES LTD. (IN) 2010-01-21 US disclosed
WO-2008062436-A2 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME UNICHEM LABORATORIES LTD. (IN) 2008-05-29 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-20100016630-A1 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME ACMSD, ACACA, AADAC PPARA 136/4885PPARG 413/4885ALOX5 104/4885

“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.