SCHEMBL21177835

SCHEMBL21177835

C#CC1(OC(N)=O)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL27239639 0.91
SCHEMBL7290393 0.82 KDM4E (0.36) KMT2A
SCHEMBL2104316 0.80 MEN1 (0.36) MEN1POLBKMT2A
SCHEMBL2105441 0.80 MEN1 (0.36) MEN1POLBKMT2A
SCHEMBL11592104 0.78 MEN1 (0.35) MEN1POLBKMT2A
SCHEMBL11617059 0.77 MEN1 (0.38) MEN1POLBKMT2A
SCHEMBL873082 0.77 MEN1 (0.38) MEN1POLBKMT2A
SCHEMBL29168311 0.75
SCHEMBL29104225 0.75 MEN1 (0.33) MEN1POLBKMT2A
SCHEMBL5557148 0.75 MEN1 (0.33) MEN1POLBKMT2A

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-111902403-B Substituted alkynylene compounds as anticancer agents 奥里吉恩发现科技有限公司 2024-05-17 CN disclosed
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 US disclosed
US-11633394-B2 Substituted alkynylene compounds as anticancer agents AURIGENE ONCOLOGY LIMITED (IN) 2023-04-25 US disclosed
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-12-09 US disclosed
EP-3740473-A1 SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS Aurigene Discovery Technologies Limited (IN) 2020-11-25 EP disclosed
CN-111902403-A Substituted alkynylene compounds as anticancer agents 奥里吉恩发现科技有限公司 2020-11-06 CN disclosed
WO-2019142126-A1 SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-07-25 WO 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 (3 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-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 MEN1 1649/4885POLB 1152/4885KMT2A 2821/4885
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 MEN1 1649/4885POLB 1152/4885KMT2A 2821/4885
US-11633394-B2 Substituted alkynylene compounds as anticancer agents MCL1, ROS1, MKI67 MEN1 1649/4885POLB 1152/4885KMT2A 2821/4885

“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.