SCHEMBL15340982

SCHEMBL15340982

CC1(C(N)=O)CCCC(C)(C(N)=O)CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR3 O14843 1/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL540102 1.00
Hydrochloric Acid SCHEMBL4622019 0.97
SCHEMBL1536078 0.94
SCHEMBL7632840 0.92 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2FFAR3PKMTDP1
SCHEMBL6874432 0.92 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2FFAR3PKMTDP1
SCHEMBL516698 0.92 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2FFAR3PKMTDP1
Hydrochloric Acid SCHEMBL7274491 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2FFAR3PKMTDP1
SCHEMBL25489834 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2FFAR3PKMTDP1
SCHEMBL457922 0.88
Hydrochloric Acid SCHEMBL31169689 0.85

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-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN ALDH1A1 4758/4885SMN1; SMN2 1081/4885FFAR3 4263/4885

“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.