SCHEMBL1603587

SCHEMBL1603587

N=C(CCC(=O)OC(=O)CCCCCCCCCCI)OC(=O)CCCCCCCCCCI

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
DGKA P23743 1/20 0.31

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
SCHEMBL1603239 0.92 ALDH1A1 (0.34) ALDH1A1
SCHEMBL29190377 0.83 ALDH1A1 (0.43) ALDH1A1DGKA
SCHEMBL1870547 0.82 TSHR (0.48) ALDH1A1
SCHEMBL905699 0.82 TSHR (0.48) ALDH1A1
SCHEMBL905402 0.82 TSHR (0.48) ALDH1A1
SCHEMBL905720 0.82 TSHR (0.48) ALDH1A1
SCHEMBL379359 0.82 TSHR (0.48) ALDH1A1
SCHEMBL1230057 0.82 TSHR (0.48) ALDH1A1
SCHEMBL7877321 0.82 GPR84 (0.41) ALDH1A1DGKA
SCHEMBL6889455 0.81 DGKA (0.52) ALDH1A1DGKA

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-20110082279-A1 Chemiluminescent Compounds GEN-PROBE INCORPORATED (US) 2011-04-07 US disclosed
US-20070166759-A1 Chemiluminescent compounds GEN-PROBE CARDIFF, LTD. (GB) 2007-07-19 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-20070166759-A1 Chemiluminescent compounds CBR3, CBR1, LTC4S ALDH1A1 460/4885DGKA 4102/4885
US-20110082279-A1 Chemiluminescent Compounds CBR3, LTC4S, CBR1 ALDH1A1 585/4885DGKA 4229/4885

“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.