SCHEMBL10098811

SCHEMBL10098811

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.50
▸ KIF11 P52732 9/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ LTA4H P09960 2/20 0.48
▸ 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
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29990799 1.00 CA4 (0.50) CA4KIF11KCNH2LTA4HCA12
SCHEMBL8784660 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL136229 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL774134 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL434969 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL7360020 0.82 KIF11 (0.44) KIF11
Hydrochloric Acid SCHEMBL30389842 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCA12
Bromide SCHEMBL31164184 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCA12
Methane SCHEMBL20403330 0.80 KIF11 (0.43) KIF11
SCHEMBL8728585 0.80 CA4 (0.50) CA4KIF11KCNH2LTA4HCA12

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-20140179875-A1 SULFURIZATION REAGENTS ON SOLID SUPPORTS GIRINDUS AMERICA, INC. (US) 2014-06-26 — — US disclosed
US-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis GIRINDUS AMERICA, INC. (US) 2012-03-22 — — 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-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis RRM1, SRRT, NSUN2 CA4 4345/4885KIF11 3679/4885KCNH2 3513/4885
US-20140179875-A1 SULFURIZATION REAGENTS ON SOLID SUPPORTS OR10J3, RPS8, NSUN2 CA4 977/4885KIF11 2868/4885KCNH2 2546/4885

“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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