SCHEMBL22472676

SCHEMBL22472676

CC(C)C(C)Nc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
THRB P10828 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRA P10827 1/20 0.36
TRPA1 O75762 1/20 0.34
LMNA P02545 2/20 0.31
ALOX12 P18054 2/20 0.31
RECQL P46063 1/20 0.31
ATM Q13315 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
SCHEMBL13596293 0.84 ESR1 (0.48) ESR1THRBL3MBTL1TDP1ALDH1A1
SCHEMBL8182988 0.78 ALDH1A1 (0.46) THRBL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL19704633 0.77 TRPV1 (0.34) THRBL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL8168872 0.76 HRH3 (0.41) THRBL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL16240889 0.74 ESR1 (0.56) ESR1THRBL3MBTL1TDP1ALDH1A1
SCHEMBL24419592 0.74 LMNA (0.45) ESR1THRBCYP3A4TSHRHSD17B10
SCHEMBL26005653 0.74 TSHR (0.41) THRBL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL6685103 0.73 ESR1 (0.74) ESR1THRBTDP1ALDH1A1CYP3A4
SCHEMBL21799723 0.73 MAPT (0.39) THRBL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL13233319 0.73 ESR1 (0.54) ESR1THRBALDH1A1CYP3A4ALOX15

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 ESR1 3967/4885THRB 3616/4885L3MBTL1 2207/4885

“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.