SCHEMBL19795904

SCHEMBL19795904

CCCN(/C=C(\C(C)=O)c1ccccc1)c1ccc(N(/C=C(\C(=O)C(F)(F)F)c2ccccc2)CCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MLYCD O95822 4/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CES1 P23141 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESRRG P62508 1/20 0.32
NR1I2 O75469 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL19041119 0.95 CA12 (0.40) CA12CA1CA2CA9MLYCD
SCHEMBL19041269 0.92 MLYCD (0.38) CA12CA1CA2CA9MLYCD
SCHEMBL19040973 0.92 MLYCD (0.38) CA12CA1CA2CA9MLYCD
SCHEMBL19795937 0.90 CA12 (0.38) CA12CA1CA2CA9MLYCD
SCHEMBL19040970 0.85 MLYCD (0.37) CA12CA1CA2CA9MLYCD
SCHEMBL19803797 0.85 MLYCD (0.37) CA12CA1CA2CA9MLYCD
SCHEMBL19795935 0.85 MLYCD (0.36) CA12CA1CA2CA9MLYCD
SCHEMBL19041194 0.84 CA12 (0.41) CA12CA1CA2CA9MLYCD
SCHEMBL19041111 0.84 CES1 (0.41) CA12CA1CA2CA9MLYCD
SCHEMBL19041337 0.84 NPC1 (0.41) CA12CA1CA2CA9MLYCD

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-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 US disclosed
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 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-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 CA12 822/4885CA1 1713/4885CA2 2676/4885

“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.