SCHEMBL8252760

SCHEMBL8252760

COC1=C(OC)C(=O)C(Br)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
APEX1 P27695 6/20 0.46
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CDC25A P30304 2/20 0.41
CDC25B P30305 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL17430583 0.88 ALDH1A1 (0.45) AURKAAURKBAPEX1IDO1ALDH1A1
Aurantiogliocladin SCHEMBL487583 0.81 MAPT (0.50) APEX1IDO1ALDH1A1CYP3A4CYP2D6
SCHEMBL9863966 0.78 HKDC1 (0.48) AURKAAURKBAPEX1IDO1ALDH1A1
SCHEMBL9655485 0.75 CDC25A (0.64) APEX1IDO1ALDH1A1CYP3A4CYP2D6
SCHEMBL1393351 0.74 ALDH1A1 (0.62) AURKAAURKBALDH1A1CYP3A4CYP2D6
SCHEMBL31415086 0.72 ALDH1A1 (0.52) AURKAAURKBALDH1A1CYP3A4CYP2D6
SCHEMBL3420496 0.71 MAPT (0.58) APEX1IDO1ALDH1A1CYP3A4CYP2D6
SCHEMBL12592463 0.70 CDC25A (0.58) APEX1IDO1ALDH1A1CYP3A4CYP2D6
SCHEMBL9180312 0.70 DUSP3 (0.48) APEX1IDO1ALDH1A1CYP3A4CYP2D6
SCHEMBL4725792 0.70 APEX1 (0.44) APEX1IDO1ALDH1A1CYP3A4CYP2D6

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
CN-108037082-B Novel method for measuring hydrogen pumping capacity of mitochondria 临沂大学 2020-01-14 CN claimed
CN-110950749-B IDO inhibitor and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2023-07-25 CN disclosed
CN-110950749-A IDO inhibitor and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2020-04-03 CN disclosed
CN-108037082-B Novel method for measuring hydrogen pumping capacity of mitochondria 临沂大学 2020-01-14 CN disclosed
CN-108037082-B Novel method for measuring hydrogen pumping capacity of mitochondria 临沂大学 2020-01-14 CN disclosed
CN-108037082-A A kind of new method for measuring mitochondria pump Hydrogen Energy power 临沂大学 2018-05-15 CN disclosed
US-20080200732-A1 Novel Intermediates Useful for the Preparation of Coenzymes, Process for the Preparation of Novel Intermediates and an Improved Process for the Preparation of Coenzymes NICHOLAS PIRAMAL INDIA LIMITED (IN) 2008-08-21 US disclosed
US-20080200732-A1 Novel Intermediates Useful for the Preparation of Coenzymes, Process for the Preparation of Novel Intermediates and an Improved Process for the Preparation of Coenzymes NICHOLAS PIRAMAL INDIA LIMITED (IN) 2008-08-21 US disclosed
WO-2007004091-A2 NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF COENZYMES, PROCESS FOR THE PREPARATION OF NOVEL INTERMEDIATES AND AN IMPROVED PROCESS FOR THE PREPARATION OF COENZYMES NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-11 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-20080200732-A1 Novel Intermediates Useful for the Preparation of Coenzymes, Process for the Preparation of Novel Intermediates and an Improved Process for the Preparation of Coenzymes NDUFA10, NDUFA9, NDUFB10 AURKA 4489/4885AURKB 4325/4885APEX1 412/4885

“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.