SCHEMBL19024739

SCHEMBL19024739

CC(C)(CNC1CCCC(NC(=O)OCc2ccccc2)C1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ TLR4 O00206 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CTSK P43235 3/20 0.46
▸ CPB1 P15086 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL20305596 0.86 EPHX1 (0.55) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL5442669 0.86 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL5442663 0.86 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL29492533 0.86 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL5442666 0.86 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL20305489 0.85 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL1864036 0.84 KMT2A (0.63) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL6370475 0.84 KMT2A (0.63) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL2670623 0.84 KMT2A (0.63) EPHX1ALDH1A1GAATSHRKMT2A
SCHEMBL12667212 0.84 KMT2A (0.63) EPHX1ALDH1A1GAATSHRKMT2A

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
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 — — US disclosed
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 — — US disclosed
EP-3126352-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2018-10-17 — — EP disclosed
US-10059690-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-08-28 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10059690-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 EPHX1 4016/4885ALDH1A1 3898/4885GAA 2633/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 EPHX1 4016/4885ALDH1A1 3898/4885GAA 2633/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 EPHX1 4016/4885ALDH1A1 3898/4885GAA 2633/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 EPHX1 4016/4885ALDH1A1 3898/4885GAA 2633/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 EPHX1 4016/4885ALDH1A1 3898/4885GAA 2633/4885

“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.

Send feedback