SCHEMBL24023322

SCHEMBL24023322

CCOC(=O)CC(C)(C)c1cc(Br)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 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
SCHEMBL20669564 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL24369218 0.78 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2POLBPABPC1
SCHEMBL28402473 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2POLBGAA
SCHEMBL24023373 0.75 DGAT1 (0.39) HSD11B1LMNAGSK3AGSK3BMAPK1
SCHEMBL21201306 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9952026 0.74 MEN1 (0.44) ALDH1A1KDM4ESMN1; SMN2EGFRERBB3
SCHEMBL30163570 0.74 MEN1 (0.44) ALDH1A1KDM4ESMN1; SMN2EGFRERBB3
SCHEMBL24023234 0.73 PIK3CA (0.42) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL16737338 0.71 CYP4F2 (0.45) ALDH1A1KDM4ESMN1; SMN2EGFRERBB3
SCHEMBL14064840 0.71 PTGDR2 (0.44) ALDH1A1KDM4ESMN1; SMN2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 — — 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 (1 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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B HSD11B1 1142/4885ALDH1A1 2009/4885KDM4E 4543/4885

“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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