SCHEMBL128336

SCHEMBL128336

CCCCOc1ccc[c]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38

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
SCHEMBL9479458 0.95 SOAT1 (0.40) LTA4HCYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL18575632 0.93 SOAT1 (0.42) LTA4HCYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL4715301 0.93 SOAT1 (0.42) LTA4HCYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL129210 0.91 GABRP (0.36) LTA4HGABRPGABRDGABRA1GABRB1
SCHEMBL129417 0.82
SCHEMBL2352311 0.81 TSHR (0.38) TSHR
SCHEMBL1810241 0.79 ALDH1A1 (0.41) ALDH1A1GAAKMT2ARECQL
SCHEMBL445016 0.75 NPC1 (0.42) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL443347 0.74 BTK (0.39) CYP2C9CYP2C19GABRPGABRDGABRA1
SCHEMBL2520179 0.74 LTA4H (0.50) LTA4HCYP2C9CYP2C19CYP1A2GABRP

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
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP 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 LTA4H 1155/4885CYP2C9 96/4885CYP2C19 44/4885

“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.