SCHEMBL9370544

SCHEMBL9370544

COC(=O)C(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CA14 Q9ULX7 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA7 P43166 2/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.32
CA9 Q16790 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL7814071 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL27522067 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL27521634 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL27521633 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL8186261 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL9459932 0.79 CA1 (0.39) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL3993908 0.76 CA1 (0.39) CA14CA12CA1CA2KMT2A
SCHEMBL2828705 0.76 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL6669359 0.75 PTGS1 (0.48) SMN1; SMN2CA1CA2
SCHEMBL6669356 0.75 PTGS1 (0.48) SMN1; SMN2CA1CA2

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
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
CN-110997605-B Synthesis of diols by transfer hydrogenation of alpha-functionalized esters with alcohols 伊士曼化工公司 2023-07-25 CN disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 CN disclosed
EP-3661901-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS Eastman Chemical Company (US) 2020-06-10 EP disclosed
WO-2019027948-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 WO disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
EP-0347811-B1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-30 EP disclosed
US-5087289-A ALKANOIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-11 US disclosed
US-4968340-A PREEMERGENCE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-06 US disclosed
EP-0347811-A1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-27 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-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS FGF2, CCNA2, VEGFA SMN1; SMN2 580/4885CA14 823/4885CA12 579/4885

“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.