SCHEMBL4454648

SCHEMBL4454648

COc1c(C(C)(C)C)cc(C(=O)NC(C(=O)N2CCOCC2)C(c2ccccc2)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TNFRSF1A P19438 1/20 0.40
MTTP P55157 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 3/20 0.39

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
SCHEMBL4454644 1.00 TACR1 (0.43) TACR1ALDH1A1HSP90AA1HSP90AB1TNFRSF1A
SCHEMBL4450290 0.90 TNFRSF1A (0.41) ALDH1A1TNFRSF1AMTTPKMT2AKCNH2
SCHEMBL4450295 0.90 TNFRSF1A (0.41) ALDH1A1TNFRSF1AMTTPKMT2AKCNH2
SCHEMBL4446586 0.80 TNFRSF1A (0.46) ALDH1A1TNFRSF1AMAPTKMT2AKCNH2
SCHEMBL4446583 0.80 TNFRSF1A (0.46) ALDH1A1TNFRSF1AMAPTKMT2AKCNH2
SCHEMBL4443078 0.79 TNFRSF1A (0.46) ALDH1A1TNFRSF1AMAPTKMT2A
SCHEMBL3638466 0.79 TNFRSF1A (0.46) ALDH1A1TNFRSF1AMAPTKMT2A
SCHEMBL4450981 0.79 TNFRSF1A (0.45) ALDH1A1TNFRSF1AMAPTKMT2AKCNH2
SCHEMBL4450978 0.79 TNFRSF1A (0.45) ALDH1A1TNFRSF1AMAPTKMT2AKCNH2
SCHEMBL4456783 0.77 MEN1 (0.47) ALDH1A1TNFRSF1ATSHRKMT2AKCNH2

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-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I TACR1 541/4885ALDH1A1 2335/4885HSP90AA1 1767/4885

“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.