SCHEMBL131690

SCHEMBL131690

[CH2]Cc1ccc(C(C)(C)C(=O)O)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.36
DGAT1 O75907 1/20 0.36
CCR9 P51686 3/20 0.36
ALDH1A1 P00352 2/20 0.34
BLM P54132 2/20 0.34
P4HTM Q9NXG6 2/20 0.34
TSHR P16473 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 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
SCHEMBL130002 0.79 PDE10A (0.35) CCR9ALDH1A1KCNH2
SCHEMBL129205 0.77 DGAT1 (0.41) DGAT1P4HTMCYP2C19
SCHEMBL38654847 0.77 PPARD (0.40) PPARDDGAT1CCR9ALDH1A1BLM
SCHEMBL128412 0.75 LMNA (0.39) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL27975333 0.75 TRPV4 (0.35) PPARDKCNH2
SCHEMBL129206 0.75 RAB9A (0.43) DGAT1CCR9ALDH1A1KDM4EMEN1
SCHEMBL31292454 0.75 RAB9A (0.43) DGAT1CCR9ALDH1A1KDM4EMEN1
SCHEMBL1759981 0.74 DGAT1 (0.41) DGAT1GABRA5KDM4EPPARGCYP2C19
SCHEMBL3759061 0.74 ALDH1A1 (0.48) PPARDDGAT1ALDH1A1TSHRKDM4E
SCHEMBL127736 0.73 HRH3 (0.43) BLMMAPTKMT2APPARGPPARA

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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 PPARD 2181/4885DGAT1 2027/4885CCR9 1055/4885

“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.