SCHEMBL21140252

SCHEMBL21140252

CC(C)CCCCC(=O)NCCNC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
CNR1 P21554 2/20 0.43
HPGD P15428 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL21140425 0.95 NAMPT (0.46) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL21140427 0.93 NAMPT (0.47) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL21140249 0.93 NAMPT (0.47) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL25543937 0.93 NAMPT (0.47) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL24974583 0.89 MEN1 (0.47) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL425951 0.89 ALDH1A1 (0.55) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL28340107 0.85 LMNA (0.58) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL23471810 0.85 ALDH1A1 (0.50) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL18784661 0.84 ALDH1A1 (0.50) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL24818366 0.83 NAMPT (0.52) ALDH1A1LMNAPKMCNR1HPGD

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 ALDH1A1 1508/4885LMNA 1626/4885PKM 4385/4885

“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.