SCHEMBL17150685

SCHEMBL17150685

CC(C)OC(=O)OC(=O)/C=C/CN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ FLT3 P36888 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CDK7 P50613 1/20 0.33
▸ CDK13 Q14004 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17140900 0.83 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL17140897 0.83 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL17140903 0.80 KDM4E (0.37) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL20477127 0.80 KDM4E (0.37) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL15783536 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL19533587 0.75 TSHR (0.49) KMT2AALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL16444453 0.74 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL15584092 0.74 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL17250749 0.72 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL14165793 0.72 KDM4E (0.42) MEN1KMT2AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — 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 (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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MEN1 775/4885KMT2A 1283/4885ALDH1A1 3898/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MEN1 775/4885KMT2A 1283/4885ALDH1A1 3898/4885

“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.

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