SCHEMBL128260

SCHEMBL128260

[CH2]CC(C)(C)C(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 5/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL129864 0.88 HCAR2 (0.36) ALDH1A1TSHRHPGDHCAR2TDP1
SCHEMBL127972 0.85 ALDH1A1 (0.45) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL110464 0.83 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL12641119 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL1164145 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL3814235 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL19359962 0.82 CYP4F2 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL17860702 0.80 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL17145937 0.80 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL128354 0.79 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 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 (2 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1358/4885TSHR 4215/4885HPGD 81/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885TSHR 1420/4885HPGD 450/4885

“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.