SCHEMBL4069039

SCHEMBL4069039

O=C(O)CCCC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SLC22A6 Q4U2R8 1/20 0.46
LMNA P02545 3/20 0.40
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
PAM P19021 2/20 0.37
NPC1 O15118 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL26983152 0.96 LMNA (0.46) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL10105403 0.91 TSHR (0.40) TSHRLMNAPAMCYP1A2KMT2A
SCHEMBL4075547 0.87 LMNA (0.41) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL508579 0.87 DGKA (0.41) TSHRLMNAPAMCYP1A2KMT2A
SCHEMBL4078930 0.83 ALDH1A1 (0.38) TSHRLMNACYP1A2ALDH1A1HPGD
SCHEMBL7439614 0.82 ADRA2A (0.37) TSHRCYP1A2BLMALDH1A1POLB
SCHEMBL3171515 0.81 POLB (0.35) TSHRLMNAPAMCYP1A2ALDH1A1
SCHEMBL8894297 0.81 DGKA (0.33) TSHRPAMCYP1A2ALDH1A1POLB
SCHEMBL28682096 0.79 TSHR (0.54) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL28068757 0.79 TSHR (0.48) TSHRSLC22A6LMNANFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
EP-2039681-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-4988497-A Diagnostic test for acute pancreatitus or cancer of the pancreas; sensitivity; colorimetry S BOEHRINGER MANNHEIM GMBH (DE) 1991-01-29 US disclosed
US-4847376-A COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 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-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS TSHR 3664/4885SLC22A6 1859/4885LMNA 4058/4885

“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.