SCHEMBL5310778

SCHEMBL5310778

COC(=O)c1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
XDH P47989 1/20 0.56
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL7257741 0.98 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL31430582 0.92 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1775666 0.85 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5307555 0.84 MAPT (0.51) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL11054583 0.83 HSP90AA1 (0.53) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL19900078 0.82 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL18459668 0.82 SMN1; SMN2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6987984 0.81 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL313355 0.81 KMO (0.54) CA12CA1CA2CA7CA9
SCHEMBL20834002 0.81 SMN1; SMN2 (0.45) CA12CA1CA2CA7CA9

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
WO-2007019397-A2 6-MEMBERED ARYL AND HETEROARYL DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIRUS GENELABS TECHNOLOGIES, INC. (US) 2007-02-15 WO disclosed
WO-2007019397-A2 6-MEMBERED ARYL AND HETEROARYL DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIRUS GENELABS TECHNOLOGIES, INC. (US) 2007-02-15 WO disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 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-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 CA12 4410/4885CA1 4854/4885CA2 4801/4885

“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.