SCHEMBL3338271

SCHEMBL3338271

C=CCC1=C(O)C(=O)c2c(ccc3c2CCCC3)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.44
PARP1 P09874 1/20 0.38
ELANE P08246 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
CYP19A1 P11511 1/20 0.34
NQO1 P15559 3/20 0.33
CTRC Q99895 1/20 0.32
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL3332145 0.82 HIF1A (0.55) CES1HIF1AEPAS1
SCHEMBL3336228 0.74 CES1 (0.45) CES1PARP1HIF1AEPAS1CYP19A1
SCHEMBL16939655 0.73 CES1 (0.62) CES1PARP1HIF1AEPAS1CYP19A1
SCHEMBL11647580 0.70 ALDH1A1 (0.53) ELANE
SCHEMBL939289 0.70 DNMT1 (0.46) CES1ELANEHIF1A
SCHEMBL1077250 0.69 GABRA1 (0.40) CES1PARP1NQO1CTRCBCL2L1
SCHEMBL3290440 0.69 GABRA1 (0.44) ELANENQO1CTRCBCL2L1BAD
SCHEMBL939989 0.69 APAF1 (0.54) ELANEHIF1A
SCHEMBL3330344 0.68 MAPT (0.45) CES1PARP1HIF1AHTR1A
SCHEMBL3333080 0.68 HSP90AA1 (0.35) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404869-B2 Phenanthrenequinone-based compound and pharmaceutical composition containing the same for the treatment or prevention of disease involving metabolic syndrome MAZENCE INC. (KR) 2013-03-26 US disclosed
US-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME YUNGJIN PHARM. CO., LTD. (KR) 2010-06-03 US 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-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME CYP27A1, CYP46A1, PCSK9 CES1 131/4885PARP1 2487/4885ELANE 2839/4885

“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.