SCHEMBL129847

SCHEMBL129847

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 5/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.38
ESR1 P03372 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 6/20 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
SCHEMBL131854 0.87 HCAR2 (0.38) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL128354 0.81 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL6048843 0.78 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL128153 0.78 CYP4F2 (0.44) ALDH1A1TSHRATML3MBTL1LMNA
Ammonia Solution, Strong SCHEMBL23711257 0.77 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL110464 0.77 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL6058509 0.76 ALDH1A1 (0.56) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL126843 0.76 ALDH1A1 (0.56) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL13839035 0.76 ALDH1A1 (0.56) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL7653360 0.75 ALDH1A1 (0.50) 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 4 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

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 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.