SCHEMBL19620174

SCHEMBL19620174

COc1ccc(C(OO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.50
KIF11 P52732 8/20 0.49
KCNH2 Q12809 1/20 0.49
LTA4H P09960 2/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS2 P35354 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TRPA1 O75762 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL11296858 0.83 LTA4H (0.46) LTA4HALDH1A1ALOX15CA1CA2
SCHEMBL434969 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCES2
SCHEMBL136229 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCES2
SCHEMBL8784660 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCES2
SCHEMBL774134 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCES2
SCHEMBL297104 0.82 ALDH1A1 (0.56) KIF11ALDH1A1ALOX15CES1
Hydrochloric Acid SCHEMBL30389842 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HALDH1A1
Bromide SCHEMBL31164184 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCES2
SCHEMBL3932304 0.80 CA4 (0.50) CA4KIF11KCNH2LTA4HCES2
SCHEMBL21738735 0.80 KIF11 (0.56) CA4KIF11KCNH2LTA4HCES2

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-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
US-10519446-B2 Organic compounds to treat hepatitis B virus NOVARTIS AG (CH) 2019-12-31 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9822134-B2 System for delivering therapeutic agents into living cells and cells nuclei SABAG-RFA LTD. (IL) 2017-11-21 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 CA4 4573/4885KIF11 2009/4885KCNH2 4583/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 CA4 4573/4885KIF11 2009/4885KCNH2 4583/4885

“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.