SCHEMBL23009244

SCHEMBL23009244

COc1cc(C)c(NC(=O)C(=O)Nc2cc(C(C)(C)C)c(OC)cc2C)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LPAR1 Q92633 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IMPDH2 P12268 1/20 0.40

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
SCHEMBL21568087 0.78 ALOX15 (0.49) MAPTKDM4ELMNAHPGDTP53
SCHEMBL12224029 0.74 LMNA (0.57) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL12388583 0.73 LMNA (0.61) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL85484 0.73 LMNA (0.55) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16215903 0.72 MAPT (0.48) MAPTKDM4ELMNAHPGDALDH1A1
SCHEMBL7217745 0.72 MEN1 (0.48) MAPTLMNAHPGDTP53CYP3A4
SCHEMBL26552884 0.72 HPGD (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL23420771 0.71 ALDH1A1 (0.52) MAPTKDM4ELMNAHPGDALDH1A1
SCHEMBL6118174 0.70 MAPT (0.56) MAPTKDM4ELMNAHPGDALDH1A1
SCHEMBL23420773 0.70 MEN1 (0.43) ADRA2AADRA2CADRA1DADRA1AADRA1B

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
EP-3792241-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL Takasago International Corporation (JP) 2021-03-17 EP disclosed
US-20210047254-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-02-18 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-20210047254-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL ADH1C, CBR1, NAP1L4 ADRA2A 2767/4885ADRA2C 2423/4885ADRA1D 1458/4885

“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.