SCHEMBL21236741

SCHEMBL21236741

C=[PH](O)OC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
EPHX1 P07099 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
SCHEMBL3364907 0.74 CA1 (0.36) CA1CA2CA12CA9EPHX1
SCHEMBL3066087 0.74 CA1 (0.39) CA1CA2CA12CA9EPHX1
SCHEMBL3086400 0.74 CA1 (0.34) CA1CA2CA12CA9EPHX1
SCHEMBL8435994 0.70
Biphenyl SCHEMBL11430652 0.69 ALDH1A1 (0.36) CA1CA2CA12CA9EPHX1
SCHEMBL673199 0.67 CA1 (0.39) CA1CA2CA12CA9EPHX1
SCHEMBL3066085 0.65 CA1 (0.37) CA1CA2CA12CA9EPHX1
SCHEMBL3057265 0.65 CA1 (0.32) CA1CA2CA12CA9
SCHEMBL3078082 0.65 CA1 (0.36) CA1CA2CA12CA9
SCHEMBL15941586 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241952-A1 TAGGED MULTI-NUCLEOTIDES USEFUL FOR NUCLEIC ACID SEQUENCING ROCHE SEQUENCING SOLUTIONS INC (US) 2019-08-08 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 (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-20190241952-A1 TAGGED MULTI-NUCLEOTIDES USEFUL FOR NUCLEIC ACID SEQUENCING NT5C3B, POLN, RNGTT CA1 4693/4885CA2 4082/4885CA12 4487/4885

“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.