SCHEMBL12201567

SCHEMBL12201567

CCC(CC)(NC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
KCNN4 O15554 1/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 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
Hydrochloric Acid SCHEMBL17393209 0.98 DGAT1 (0.33) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL27561649 0.83
SCHEMBL58547 0.75 CNR2 (0.34) DGAT1ALDH1A1POLBCNR2CNR1
SCHEMBL18355989 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL58233 0.74 ARG1 (0.36) ALDH1A1TSHR
SCHEMBL806956 0.73 DGAT1 (0.38) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL4069477 0.73 DGAT1 (0.38) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL809243 0.73 DGAT1 (0.40) DGAT1ALDH1A1POLBTSHRKCNN4
Hydrochloric Acid SCHEMBL3607012 0.72 ARG1 (0.35) ALDH1A1TSHR
SCHEMBL29186846 0.72 MGAM (0.38) POLBTSHRCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3757093-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-12-30 EP disclosed
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed
US-9499553-B2 Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
US-9499553-B2 Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
EP-2975030-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-01-20 EP disclosed
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-07 US disclosed
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-07 US disclosed
WO-2014142273-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE 中外製薬株式会社 (JP) 2014-09-18 WO disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 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-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME SLC9A5, SLC5A2, SLC5A1 DGAT1 2326/4885ALDH1A1 2320/4885POLB 3804/4885

“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.