SCHEMBL2912341

SCHEMBL2912341

CC1(C)C=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 1/20 0.37
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TBXA2R P21731 2/20 0.36
PKM P14618 1/20 0.35
FABP4 P15090 4/20 0.34
MAPK1 P28482 1/20 0.34
APEX1 P27695 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL224062 0.84 S1PR3 (0.32) CYP26B1S1PR3ALDH1A1TBXA2RPKM
SCHEMBL31657046 0.83 S1PR3 (0.32) S1PR3
SCHEMBL10111553 0.80 HDAC11 (0.41) ALDH1A1FABP4MAPK1TDP1
SCHEMBL16360447 0.78 S1PR3 (0.35) CYP26B1S1PR3ALDH1A1TDP1
SCHEMBL47248 0.78 MEN1 (0.39) CYP26B1S1PR3ALDH1A1TBXA2RPKM
SCHEMBL31278367 0.77 FOLH1 (0.43) ALDH1A1TBXA2RPKMFABP4MAPK1
Bromide SCHEMBL6537380 0.77 MEN1 (0.38) CYP26B1S1PR3ALDH1A1TBXA2RPKM
SCHEMBL13998245 0.76 MEN1 (0.39) CYP26B1ALDH1A1TBXA2RPKMFABP4
SCHEMBL251206 0.75 MEN1 (0.39) CYP26B1ALDH1A1TBXA2RPKMFABP4
SCHEMBL11912398 0.75 ALDH1A1 (0.33) CYP26B1S1PR3ALDH1A1TBXA2RPKM

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-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
EP-2223086-A1 FLUORESCENT COMPOUNDS Biotium Inc. (US) 2010-09-01 EP disclosed
WO-2009078970-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. (US) 2009-06-25 WO 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 CYP26B1 2082/4885S1PR3 3432/4885ALDH1A1 1447/4885

“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.