SCHEMBL992027

SCHEMBL992027

COc1ccccc1C(OCCO)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
NR3C2 P08235 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CHRM3 P20309 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHPS P49366 1/20 0.35
KCNA5 P22460 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2494552 0.97 KIF11 (0.42) KIF11NR3C2LMNAHTTCA1
SCHEMBL18704105 0.91 KIF11 (0.38) KIF11NR3C2LMNAHTTCHRM3
SCHEMBL2491593 0.90 CA1 (0.41) LMNACA1CA2CA12CA4
SCHEMBL1260567 0.88 ALDH1A1 (0.42) KIF11NR3C2LMNAHTTCHRM3
SCHEMBL15841458 0.88 ALDH1A1 (0.42) KIF11NR3C2LMNAHTTCHRM3
SCHEMBL2491447 0.88 KIF11 (0.40) KIF11NR3C2LMNAHTTCA1
Tetraethylene Glycol SCHEMBL2385287 0.84 ALDH1A1 (0.39) NR3C2LMNAHTTCA1CA2
SCHEMBL2288429 0.83 NR3C2 (0.33) KIF11NR3C2LMNAHTTALDH1A1
SCHEMBL7050159 0.82 KIF11 (0.40) KIF11NR3C2LMNAHTTCA1
SCHEMBL2489422 0.81 KIF11 (0.64) KIF11NR3C2CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131908-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2018-11-20 US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 US disclosed
US-8927513-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20120157511-A1 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2011005860-A2 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-01-13 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 (3 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-20120157511-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT KIF11 4151/4885NR3C2 3526/4885LMNA 2073/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT KIF11 4105/4885NR3C2 3538/4885LMNA 2072/4885
US-10131908-B2 5′ phosphate mimics NSUN2, RNGTT, RNMT KIF11 4094/4885NR3C2 3499/4885LMNA 2063/4885

“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.