SCHEMBL686744

SCHEMBL686744

CC(=O)OC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 9/20 0.59
CDC25A P30304 7/20 0.59
APEX1 P27695 2/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
MAP2K7 O14733 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL11365625 0.90 MAPT (0.54) CDC25BCDC25AAPEX1MAP2K7KDM4E
SCHEMBL18220965 0.86 CDC25B (0.47) CDC25BCDC25AAPEX1AURKAAURKB
SCHEMBL10959287 0.81 IDO1 (0.54) CDC25BCDC25AAPEX1MAP2K7KDM4E
SCHEMBL23938881 0.80 FGFR1 (0.43) CDC25BCDC25AKDM4EALDH1A1LMNA
SCHEMBL26781790 0.80 HSP90AA1 (0.49) CDC25BCDC25AMAP2K7KDM4EALDH1A1
SCHEMBL5822019 0.79 KDM4E (0.58) APEX1KDM4EALDH1A1LMNAMAPT
SCHEMBL14313792 0.78 FGFR1 (0.50) CDC25BCDC25AAPEX1MAP2K7KDM4E
SCHEMBL22323640 0.76 MAPT (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL29941466 0.75 CDC25B (0.68) CDC25BCDC25AAURKAAURKBMAP2K7
SCHEMBL571026 0.75 CDC25B (0.68) CDC25BCDC25AAURKAAURKBMAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170138953-A1 METHODS FOR DETECTING AND QUANTIFYING NON-POLAR ANALYTES WITH HIGH SENSITIVITY WATERS TECHNOLOGIES CORPORATION 2017-05-18 US disclosed
US-8299036-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-8044085-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2011-10-25 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20100311677-A1 Active Ingredient Combinations Having Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
US-20100204167-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-08-12 US disclosed
US-20100197737-A1 ACTIVE AGENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
US-20100168042-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20090286788-A1 Active agent combinations with insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-19 US disclosed
US-7585887-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2009-09-08 US disclosed
US-20080027114-A1 Active Agent Combinations with Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-31 US disclosed
US-7205289-B2 Combinations of active ingredients with insecticidal and acaricidal properties BAYER AKTIENGESELLSCHAFT (DE) 2007-04-17 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 (8 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-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 CDC25B 309/4885CDC25A 684/4885APEX1 4606/4885
US-20100197737-A1 ACTIVE AGENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES ACHE, AADAC, AMY1A CDC25B 1618/4885CDC25A 1023/4885APEX1 4274/4885
US-20080027114-A1 Active Agent Combinations with Insecticidal and Acaricidal Properties AADAC, ACAA2, AAAS CDC25B 968/4885CDC25A 712/4885APEX1 3497/4885
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES ACAA2, ACHE, AADAC CDC25B 733/4885CDC25A 728/4885APEX1 3957/4885
US-20090286788-A1 Active agent combinations with insecticidal and acaricidal properties ACAA2, ACHE, AADAC CDC25B 562/4885CDC25A 631/4885APEX1 3911/4885
US-20100204167-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES ACHE, ACAT2, ACAT1 CDC25B 1369/4885CDC25A 1548/4885APEX1 3473/4885
US-20100168042-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES AADAC, ACAA2, AAAS CDC25B 968/4885CDC25A 712/4885APEX1 3497/4885
US-20100311677-A1 Active Ingredient Combinations Having Insecticidal and Acaricidal Properties ACHE, ACAT2, ACAT1 CDC25B 646/4885CDC25A 912/4885APEX1 4552/4885

“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.