SCHEMBL3189674

SCHEMBL3189674

CCCCCCCCCCCCCCCc1cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
SAE1 Q9UBE0 2/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
ESR1 P03372 1/20 0.45
PPARD Q03181 1/20 0.45
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
PTGES O14684 2/20 0.43
TOP2A P11388 1/20 0.43

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
SCHEMBL3197453 0.83 BID (0.55) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL4783266 0.82 NAAA (0.40) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3181480 0.82 PPARA (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5589101 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5587056 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5587237 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5588659 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5590466 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5586582 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5590143 0.80 BID (0.48) BIDMCL1BCL2L1BAK1KAT8

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 8 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
US-8338638-B2 Antimicrobial derivatives of anacardic acid and process for preparing the same UNICHEM LABORATORIES LTD. (IN) 2012-12-25 US disclosed
US-8338638-B2 Antimicrobial derivatives of anacardic acid and process for preparing the same UNICHEM LABORATORIES LTD. (IN) 2012-12-25 US disclosed
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
US-20100016630-A1 ANTIMICROBIAL DERIVATIVES OF ANACARDIC ACID AND PROCESS FOR PREPARING THE SAME UNICHEM LABORATORIES LTD. (IN) 2010-01-21 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 BID 250/4885MCL1 152/4885BCL2L1 168/4885

“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.