Sugi Predict

Sugi Predict / Compounds / SCHEMBL127971

SCHEMBL127971

SCHEMBL127971

CCCOC(=O)CCCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.53
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DNM1 Q05193 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PAM P19021 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR2C P28335 1/20 0.40

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
SCHEMBL13970371 0.94 DGKA (0.57) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL29357561 0.92 DGKA (0.60) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL20838344 0.92 DGKA (0.60) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL30379312 0.91 DGKA (0.58) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL128688 0.90 DGKA (0.57) DGKAMAPTALDH1A1DNM1CYP3A4
SCHEMBL15130564 0.89 DGKA (0.56) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL23496596 0.89 DGKA (0.60) DGKAMAPTALDH1A1DNM1CYP3A4
SCHEMBL23673122 0.88 DGKA (0.55) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL23673148 0.88 DGKA (0.55) DGKAMAPTALDH1A1L3MBTL1DNM1
SCHEMBL127983 0.88 DGKA (0.47) DGKAMAPTALDH1A1L3MBTL1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250369-A A kind of preparation method of low smell high-weatherability polymer polyatomic alcohol 万华化学集团股份有限公司 2018-07-06 — — CN disclosed
US-9801851-B2 Methods and compositions for the treatment of BCR-ABL positive lymphoblastic leukemias ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-10-31 — — US disclosed
US-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-14 — — US 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 (2 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 DGKA 3277/4885MAPT 4877/4885ALDH1A1 580/4885
US-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS ABL1, BCR, ABL2 DGKA 493/4885MAPT 2776/4885ALDH1A1 2348/4885

“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.