SCHEMBL8247883

SCHEMBL8247883

CC(C)(C)C(=O)OCCC#N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKCA P17252 1/20 0.37
HTT P42858 1/20 0.31
BTN3A1 O00481 1/20 0.30

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
SCHEMBL28586646 0.98 MEN1 (0.44) MEN1KMT2APOLBGAANPSR1
SCHEMBL17694459 0.88 MEN1 (0.43) MEN1KMT2APOLBGAANPSR1
SCHEMBL17694457 0.86 MEN1 (0.42) MEN1KMT2APOLBGAANPSR1
SCHEMBL24961372 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL19117106 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL10010915 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL10011134 0.82 MEN1 (0.50) MEN1KMT2A
SCHEMBL10012666 0.82 MEN1 (0.42) MEN1KMT2A
SCHEMBL10033538 0.82 MEN1 (0.46) MEN1KMT2A
SCHEMBL20528155 0.79 MEN1 (0.56) MEN1KMT2A

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-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
CN-108586500-B Zinc coordination complex and method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2021-06-25 CN disclosed
CN-103429598-A Organozinc complexes and methods of making and using the same UNIV MUENCHEN L MAXIMILIANS 2013-12-04 CN disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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 (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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A MEN1 3926/4885KMT2A 2302/4885POLB 4166/4885
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 MEN1 4484/4885KMT2A 3228/4885POLB 3913/4885

“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.