SCHEMBL620057

SCHEMBL620057

OC(CC1CO1)(CC1CO1)CC1CO1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4167430 0.86 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL990048 0.84 ALDH1A1 (0.34) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL5581611 0.82 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL989281 0.80 ALDH1A1 (0.37) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL2406151 0.78
SCHEMBL4372382 0.77 ALDH1A1 (0.35) ALDH1A1TDP1TSHRMAPK1
SCHEMBL991393 0.77
SCHEMBL23501578 0.77 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2
SCHEMBL23163231 0.75 TSHR (0.44) ALDH1A1TDP1TSHRMAPK1TP53
SCHEMBL822980 0.73 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 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-20120039815-A9 CONTRAST AGENTS C5, TXN, CBR3 ALDH1A1 4325/4885TDP1 4659/4885TSHR 72/4885
US-20110052504-A1 CONTRAST AGENTS C5, TXN, CBR3 ALDH1A1 4325/4885TDP1 4659/4885TSHR 72/4885

“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.