SCHEMBL22315768

SCHEMBL22315768

CCCCNc1ccc(COC(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.47
SCN5A Q14524 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
NTSR1 P30989 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
SCN1A P35498 1/20 0.47

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
SCHEMBL27402975 0.91 HDAC3 (0.50) ALDH1A1MAPK1CYP3A4TSHRTDP1
SCHEMBL11245458 0.83 ALDH1A1 (0.57) ALDH1A1MAPK1CYP3A4TSHRTDP1
SCHEMBL27421351 0.81 LMNA (0.48) MAPK1CYP3A4L3MBTL1LMNASCN5A
SCHEMBL11237791 0.81 HPGD (0.53) ALDH1A1TDP1KMT2AHDAC3HDAC1
SCHEMBL11235830 0.81 HPGD (0.53) ALDH1A1TDP1KMT2AHDAC3HDAC1
SCHEMBL11236735 0.81 HPGD (0.53) ALDH1A1TDP1KMT2AHDAC3HDAC1
SCHEMBL11236862 0.81 HPGD (0.53) ALDH1A1TDP1KMT2AHDAC3HDAC1
SCHEMBL11742439 0.80 LMNA (0.47) ALDH1A1MAPK1CYP3A4LMNASCN5A
SCHEMBL23072450 0.79 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1RAB9AKMT2A
SCHEMBL1836932 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4TSHRTDP1

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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA ALDH1A1 1215/4885MAPK1 3449/4885CYP3A4 261/4885

“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.