SCHEMBL127995

SCHEMBL127995

CC(C)CCCC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.41
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
KDM1A O60341 1/20 0.40
DGKA P23743 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL27902987 0.98 MAPT (0.47) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL7739098 0.94 MAPT (0.52) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL28459246 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL17581568 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL17581577 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL17581550 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL28897821 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL2399762 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL17581552 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL2397886 0.92 MAPT (0.55) MAPTTSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111647975-A Novel spandex oil agent and spandex obtained through treatment of novel spandex oil agent 烟台锐泽化学品有限公司 2020-09-11 CN disclosed
CN-109456165-A Pure plant mother liquor solvent extraction system and method 英威达纺织(英国)有限公司 2019-03-12 CN disclosed
CN-105164097-A Pure plant mother liquor solvent extraction system and method INVISTA TECH SARL 2015-12-16 CN disclosed
US-20150315116-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD INVISTA NORTH AMERICA S.A.R.L. 2015-11-05 US disclosed
WO-2015157082-A1 MINIMIZING RECYCLE OF P-TOLUIC ACID WITHIN A PTA PURIFICATION PLANT INVISTA NORTH AMERICA S.A.R.L. (US) 2015-10-15 WO disclosed
EP-2914571-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD Invista Technologies S.à.r.l. (CH) 2015-09-09 EP disclosed
WO-2014070766-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD INVISTA NORTH AMERCIA S.A. R.L. (US) 2014-05-08 WO disclosed
US-20140121406-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD INVISTA NORTH AMERICA S.A.R.L. (US) 2014-05-01 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MAPT 4877/4885TSHR 1420/4885CYP3A4 91/4885

“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.