SCHEMBL3457787

SCHEMBL3457787

CN(C)c1ccccc1C=CC=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NFKB1 P19838 1/20 0.43
CA4 P22748 1/20 0.43
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.41
PTPN1 P18031 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40

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
SCHEMBL3813437 1.00 CA1 (0.43) CA1CA2NFKB1CA4MASP2
SCHEMBL6561859 0.88 CA1 (0.56) CA1CA2NFKB1CA4GAA
SCHEMBL7455794 0.88 CA1 (0.56) CA1CA2NFKB1CA4GAA
SCHEMBL17866914 0.80 NFKB1 (0.53) CA1CA2NFKB1CA4MASP2
SCHEMBL13004933 0.80 NFKB1 (0.53) CA1CA2NFKB1CA4MASP2
SCHEMBL13004328 0.80 NFKB1 (0.53) CA1CA2NFKB1CA4MASP2
SCHEMBL17866912 0.80 NFKB1 (0.53) CA1CA2NFKB1CA4MASP2
SCHEMBL8650163 0.79 CDK4 (0.46) GAASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL8534634 0.77 MAPT (0.59) CA1CA2NFKB1CA4GAA
SCHEMBL28280599 0.77 CA1 (0.47) CA1CA2NFKB1CA4MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858664-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2010-12-28 US disclosed
US-7842727-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2010-11-30 US disclosed
US-20050107348-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC, A DELAWARE LIMITED LIABILITY CORPORATION 2005-05-19 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-20050107348-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 CA1 2598/4885CA2 1458/4885NFKB1 1966/4885

“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.