SCHEMBL128161

SCHEMBL128161

[CH2]CCCCCOCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 12/20 0.35
SPHK2 Q9NRA0 4/20 0.35
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL126794 0.98 TSHR (0.41) TSHRALDH1A1TDP1SPHK1SPHK2
SCHEMBL131035 0.91 SPHK1 (0.40) TSHRALDH1A1TDP1SPHK1SPHK2
SCHEMBL128798 0.90
SCHEMBL126800 0.88 TSHR (0.38) TSHRALDH1A1TDP1SPHK1SPHK2
SCHEMBL18902542 0.84 TSHR (0.50) TSHRALDH1A1TDP1SPHK1SPHK2
SCHEMBL126364 0.82
SCHEMBL131976 0.81 SPHK1 (0.35) TSHRSPHK1SPHK2GBA1UGCG
SCHEMBL129852 0.79
SCHEMBL18902516 0.78 SPHK1 (0.42) TSHRALDH1A1TDP1SPHK1SPHK2
SCHEMBL8434237 0.76 ALDH1A1 (0.61) TSHRALDH1A1TDP1SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323757-B1 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES (JP) 1995-05-10 EP claimed
US-4931455-A Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1990-06-05 US claimed
EP-0323757-A2 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1989-07-12 EP claimed
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
EP-0323757-B1 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES (JP) 1995-05-10 EP disclosed
US-4931455-A Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1990-06-05 US disclosed
EP-0323757-A2 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1989-07-12 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 TSHR 1420/4885ALDH1A1 580/4885TDP1 4125/4885

“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.