SCHEMBL20925876

SCHEMBL20925876

COC(=O)c1ccc(OCCOC(C)(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
MAPT P10636 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
P2RY1 P47900 1/20 0.35

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
SCHEMBL20912880 0.88 HDAC3 (0.39) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL10859988 0.88 CPT2 (0.43) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL10861574 0.81 NPSR1 (0.47) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL19737233 0.81 NPSR1 (0.48) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL10860219 0.80 NPSR1 (0.46) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL10896745 0.79 CCNE2 (0.39) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL11713511 0.78 TSHR (0.50) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL11713886 0.78 TSHR (0.50) HPGDL3MBTL1NPSR1MAPK1TSHR
SCHEMBL19737232 0.77 CPT2 (0.32) CPT2CPT1ACPT1B
SCHEMBL10862500 0.76 HPGD (0.43) HPGDL3MBTL1NPSR1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
EP-3473628-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Medshine Discovery Inc. (CN) 2019-04-24 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 (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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 HPGD 2975/4885L3MBTL1 4602/4885NPSR1 4516/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 HPGD 2975/4885L3MBTL1 4602/4885NPSR1 4516/4885

“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.