SCHEMBL101552

SCHEMBL101552

CCCOCCC(=O)NCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.40
TLR2 O60603 2/20 0.39
EPHX2 P34913 4/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL25602351 0.92 HPGD (0.50) HPGDCYP2D6CYP2C19EPHX2LMNA
SCHEMBL24636691 0.87 HPGD (0.46) HPGDCYP2D6CYP2C19EPHX1TLR2
SCHEMBL5163458 0.86 TLR2 (0.55) HPGDCYP2C19EPHX1TLR2
SCHEMBL18383666 0.85 HPGD (0.45) HPGDCYP2D6CYP2C19EPHX2LMNA
SCHEMBL23879753 0.85 MEN1 (0.45) HPGDCYP2D6CYP2C19EPHX1TLR2
SCHEMBL19976554 0.84 HPGD (0.48) HPGDCYP2D6CYP2C19EPHX2LMNA
SCHEMBL23729797 0.84 HPGD (0.44) HPGDCYP2D6CYP2C19EPHX2LMNA
SCHEMBL20100737 0.83 LMNA (0.45) HPGDCYP2D6CYP2C19EPHX1LMNA
SCHEMBL23729880 0.82 HPGD (0.43) HPGDCYP2D6CYP2C19TLR2EPHX2
SCHEMBL30503498 0.82 HPGD (0.43) HPGDCYP2D6CYP2C19TLR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR HPGD 4047/4885CYP2D6 1589/4885CYP2C19 1457/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR HPGD 3467/4885CYP2D6 1808/4885CYP2C19 918/4885

“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.