SCHEMBL22472706

SCHEMBL22472706

CCC(=O)C1CCC(CC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
HSD11B1 P28845 1/20 0.35
LMNA P02545 2/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LIPA P38571 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 2/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20228105 0.86 THRA (0.53) THRATHRBHSD11B1LMNAPLG
SCHEMBL256670 0.81
SCHEMBL9917284 0.80 THRA (0.60) THRATHRBLMNAPLGPLAT
SCHEMBL15712882 0.80 CYP2C9 (0.42) THRATHRBLMNAPLGPLAT
SCHEMBL20801563 0.80 THRA (0.60) THRATHRBLMNAPLGPLAT
SCHEMBL10479667 0.78 CYP2C9 (0.41) THRATHRBLMNAPLGPLAT
SCHEMBL10479670 0.78 CYP2C9 (0.41) THRATHRBLMNAPLGPLAT
SCHEMBL15706268 0.78 THRA (0.58) THRATHRBLMNAPLGPLAT
SCHEMBL19772908 0.78 THRA (0.53) THRATHRBLMNAPLGPLAT
SCHEMBL16887693 0.77 PLG (0.37) THRATHRBHSD11B1LMNAPLG

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-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP THRA 3963/4885THRB 3616/4885HSD11B1 3392/4885

“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.