SCHEMBL1669812

SCHEMBL1669812

CCCN(CC(O)COc1ccccc1C(=O)CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 16/20 0.74
▸ TSHR P16473 2/20 0.67
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ KCNK3 O14649 1/20 0.59
▸ SLC22A1 O15245 1/20 0.59
▸ ABCC9 O60706 1/20 0.59
▸ KCNK2 O95069 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ ADRB2 P07550 1/20 0.59
▸ ADRB1 P08588 1/20 0.59
▸ ADRB3 P13945 1/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ HTR2A P28223 1/20 0.59

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
SCHEMBL29684673 0.85 ABCB1 (1.00) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL10277143 0.84 ABCB1 (0.54) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL10109275 0.84 ABCB1 (0.76) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL8191703 0.83 ABCB1 (1.00) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL11918307 0.82 ABCB1 (0.78) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL10123922 0.82 ABCB1 (0.89) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL1331282 0.80 ABCB1 (1.00) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL31619340 0.80 ABCB1 (0.76) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL2739140 0.79 ABCB1 (0.74) ABCB1TSHRMEN1KMT2ALMNA
SCHEMBL11913983 0.79 ABCB1 (0.48) ABCB1TSHRMEN1KMT2ALMNA

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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 — — US disclosed
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 — — US disclosed
WO-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 — — 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ABCB1 75/4885TSHR 3611/4885MEN1 4646/4885

“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.

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