SCHEMBL4556502

SCHEMBL4556502

COc1ccccc1CC(=O)N(C)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
TDP1 Q9NUW8 5/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
AOC3 Q16853 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK8 P45983 1/20 0.47
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL8567854 0.83 TSHR (0.60) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1010680 0.80 LMNA (0.64) TSHRCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL10013764 0.78 CYP1A2 (0.78) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4453242 0.78 ALDH1A1 (0.45) LMNAAOC3MEN1KMT2AMAPK8
SCHEMBL6583793 0.78 MEN1 (0.62) LMNASMN1; SMN2TDP1AOC3MEN1
SCHEMBL13206752 0.76 TSHR (0.56) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2404021 0.76 SIGMAR1 (0.62) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28118170 0.76 ATM (0.58) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2404187 0.75 LMNA (0.52) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL710329 0.74 LMNA (0.56) TSHRCYP1A2CYP3A4CYP2D6CYP2C19

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 TSHR 4459/4885CYP1A2 2273/4885CYP3A4 1515/4885

“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.