SCHEMBL13624077

SCHEMBL13624077

COc1cc(N2CCOCC2)ccc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
THRB P10828 2/20 0.52
ALDH1A1 P00352 8/20 0.49
HPGD P15428 4/20 0.49
POLB P06746 1/20 0.49
HIF1A Q16665 2/20 0.47
MAPT P10636 8/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
INSR P06213 1/20 0.46
ALK Q9UM73 1/20 0.46
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 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
SCHEMBL27944415 0.88 MEN1 (0.50) MEN1KMT2ATHRBALDH1A1HPGD
SCHEMBL26075476 0.88 MEN1 (0.49) MEN1KMT2ATHRBALDH1A1HPGD
SCHEMBL23997023 0.86 ALDH1A1 (0.53) MEN1KMT2ATHRBALDH1A1HPGD
SCHEMBL16001195 0.83 SIRT6 (0.56) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL19500869 0.82 HIF1A (0.62) MEN1KMT2ATHRBALDH1A1HPGD
SCHEMBL16001200 0.82 ADRB1 (0.53) MAPTCYP2C19ALKTGFBR1ACVR1
SCHEMBL14850362 0.81 MAPT (0.47) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8114025 0.80 HIF1A (0.54) MEN1KMT2ATHRBALDH1A1HPGD
SCHEMBL14850069 0.80 SYK (0.43) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL14008971 0.80 MAPT (0.54) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof Hongyun Biotech Co., Ltd. (CN) 2021-08-03 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MEN1 1994/4885KMT2A 3986/4885THRB 3702/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 MEN1 931/4885KMT2A 883/4885THRB 559/4885

“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.