SCHEMBL6733595

SCHEMBL6733595

CCCNC(=O)CCNCCNC(=O)CCNCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
CASP2 P42575 1/20 0.42
CNR1 P21554 1/20 0.41
NAAA Q02083 1/20 0.40
FAAH O00519 4/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.39
PAOX Q6QHF9 1/20 0.38
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
DNM1 Q05193 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 2/20 0.36
GLA P06280 1/20 0.36
CTSD P07339 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
SCHEMBL6732754 0.94 MCL1 (0.52) MCL1CASP2CNR1NAAAFAAH
SCHEMBL16328465 0.88 CASP2 (0.55) MCL1CASP2NAAAFAAHALDH1A1
SCHEMBL889215 0.87 PAOX (0.48) MCL1CASP2CNR1NAAAFAAH
SCHEMBL6733962 0.85 CASP2 (0.40) MCL1CASP2CNR1NAAAFAAH
SCHEMBL889186 0.83 PAOX (0.50) MCL1CASP2CNR1NAAAFAAH
SCHEMBL14190187 0.82 ALDH1A1 (0.38) MCL1CASP2CNR1NAAAFAAH
SCHEMBL22694320 0.82 CASP2 (0.59) MCL1CASP2CNR1NAAAFAAH
SCHEMBL21658072 0.82 NAAA (0.50) MCL1CASP2CNR1NAAAFAAH
SCHEMBL889187 0.82 CASP2 (0.53) MCL1CASP2CNR1NAAAFAAH
SCHEMBL9921437 0.81 CASP2 (0.57) MCL1CASP2CNR1NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 MCL1 505/4885CASP2 3579/4885CNR1 3928/4885

“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.