SCHEMBL18047282

SCHEMBL18047282

CC(C)(CNC(=O)OCc1ccccc1)C(=O)ONC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ EPHX1 P07099 2/20 0.51
▸ FKBP1A P62942 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ PREP P48147 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SGMS2 Q8NHU3 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL7440470 0.80 MEN1 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL21088915 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AEPHX1FKBP1A
SCHEMBL6044415 0.78 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL291124 0.77 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL18047269 0.75 EPHX1 (0.54) ALDH1A1MEN1KMT2AEPHX1GAA
SCHEMBL18047270 0.75 EPHX1 (0.54) ALDH1A1MEN1KMT2AEPHX1GAA
SCHEMBL18047337 0.75 EPHX1 (0.54) ALDH1A1MEN1KMT2AEPHX1GAA
SCHEMBL292365 0.75 SMN1; SMN2 (0.54) ALDH1A1LMNASMN1; SMN2HTT
Methyl Alcohol SCHEMBL6780968 0.75 EPHX1 (0.80) ALDH1A1MEN1KMT2AEPHX1GAA
SCHEMBL2170012 0.75 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AEPHX1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 — — US disclosed
CN-105849099-B Polycyclic inhibitors of cyclin dependent kinase 7(CDK7) 达纳-法伯癌症研究所股份有限公司 2020-01-17 — — CN disclosed
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 — — US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — 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 (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-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 ALDH1A1 4754/4885MEN1 498/4885KMT2A 1382/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 ALDH1A1 4754/4885MEN1 498/4885KMT2A 1382/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 ALDH1A1 4754/4885MEN1 498/4885KMT2A 1382/4885

“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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