SCHEMBL203495

SCHEMBL203495

C=C1OB(c2ccc3cc(N)ccc3c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13453879 0.85 LPL (0.48) LPLLIPGTDP1
SCHEMBL12120011 0.85 LPL (0.48) LPLLIPGHIF1A
SCHEMBL10085659 0.84 LPL (0.33) LPLLIPG
SCHEMBL10458542 0.82 CYP1A2 (0.34) CYP3A4HSD17B10LPLLIPGALOX15
SCHEMBL12970503 0.82 CYP3A4 (0.33) ALDH1A1CYP3A4LPLLIPGCASP1
SCHEMBL12120013 0.81 LPL (0.47) LPLLIPG
SCHEMBL14542545 0.80 LPL (0.57) ALDH1A1CYP3A4HSD17B10LPLLIPG
SCHEMBL90873 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4TDP1
SCHEMBL13474635 0.79 LPL (0.38) LPLLIPG
SCHEMBL10022888 0.78 LPL (0.30) LPLLIPG

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-20120058469-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 (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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR ALDH1A1 1447/4885CYP3A4 569/4885HSD17B10 2927/4885

“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.