SCHEMBL21298845

SCHEMBL21298845

CCCC(C)(S)Nc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.37
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13635958 0.79 ESR1 (0.52) ESR1ESR2THRATHRBNPC1
SCHEMBL18812301 0.71 ESR1 (0.44) ESR1THRATHRB
SCHEMBL16240889 0.71 ESR1 (0.56) ESR1ESR2THRATHRBNPC1
SCHEMBL24038030 0.71 ESR1 (0.47) ESR1ESR2THRATHRBNPC1
SCHEMBL14670707 0.70 ESR1 (0.50) ESR1THRATHRBNPC1HPGD
SCHEMBL6685103 0.69 ESR1 (0.74) ESR1ESR2THRATHRBTDP1
SCHEMBL13233319 0.69 ESR1 (0.54) ESR1ESR2THRATHRBHPGD
SCHEMBL15706822 0.66 ESR1 (0.61) ESR1ESR2THRATHRBTDP1
SCHEMBL19772887 0.65 ESR1 (0.54) ESR1ESR2THRATHRBMEN1
SCHEMBL13596293 0.64 ESR1 (0.48) ESR1ESR2THRATHRBNPC1

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-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 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-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ESR1 3967/4885ESR2 3566/4885THRA 3963/4885

“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.