SCHEMBL20228151

SCHEMBL20228151

CCC(C)(C)n1nnnc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 6/20 0.41
POLB P06746 3/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 6/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4412005 0.78 ALDH1A1 (0.39) ALDH1A1TSHRNPSR1LMNAHTT
SCHEMBL8757281 0.75 ALDH1A1 (0.44) ALDH1A1TSHRPOLBRAB9AUSP2
SCHEMBL4410972 0.74 ALDH1A1 (0.35) ALDH1A1HTTMAPT
SCHEMBL4407882 0.71 ALDH1A1 (0.33) ALDH1A1HTTMAPT
SCHEMBL22472670 0.71 ALDH1A1 (0.42) ALDH1A1TSHRPOLBRAB9ANPSR1
SCHEMBL4409023 0.71
SCHEMBL4404540 0.70 ALDH1A1 (0.45) ALDH1A1TSHRPOLBRAB9ALMNA
SCHEMBL4413092 0.67 CYP1A2 (0.42) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL21135761 0.65 ALDH1A1 (0.33) ALDH1A1TSHRPOLBRAB9AUSP2
SCHEMBL4409069 0.64 KMT2A (0.41) ALDH1A1TSHRUSP2LMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 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 (2 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-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 ALDH1A1 3229/4885TSHR 2325/4885POLB 3046/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 ALDH1A1 3229/4885TSHR 2325/4885POLB 3046/4885

“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.