SCHEMBL5512129

SCHEMBL5512129

CCOC(=O)C1=C(C(C)C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 8/20 0.42
GAA P10253 5/20 0.41
HPGD P15428 5/20 0.41
ATM Q13315 1/20 0.41
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL15614483 0.96 KDM4E (0.44) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL28283233 0.82 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL15614522 0.79 SLC6A3 (0.47) GAA
SCHEMBL234027 0.78 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4721379 0.77 MAPT (0.50) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL2620018 0.77 MAPT (0.50) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL19106120 0.77 ALDH1A1 (0.45) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4487412 0.76 MAPT (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL19106121 0.76 KDM4E (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL15614482 0.76 SLC6A3 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49338-E1 Phthalazinone derivatives and manufacturing process thereof IDIENCE CO., LTD. (KR) 2022-12-20 US disclosed
US-9844550-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-12-19 US disclosed
US-9844550-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-12-19 US disclosed
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2017-06-29 US disclosed
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2017-06-29 US disclosed
US-9682973-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-06-20 US disclosed
US-9682973-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-06-20 US disclosed
US-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2016-08-04 US disclosed
US-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2016-08-04 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 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 (3 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-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, PARP1 KDM4E 562/4885MAPT 551/4885MEN1 3092/4885
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, NUDT5 KDM4E 657/4885MAPT 701/4885MEN1 2970/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 KDM4E 160/4885MAPT 4858/4885MEN1 4810/4885

“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.