SCHEMBL2811536

SCHEMBL2811536

[CH]c1ccc(OC)c([CH])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 6/20 0.38
CYP1A1 P04798 6/20 0.38
CYP1B1 Q16678 6/20 0.38
NQO1 P15559 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
ADRA1A P35348 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL497560 0.82 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL497561 0.82 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL2090959 0.78 CA12 (0.62) CA2CA12CA1CA7CA9
SCHEMBL2090961 0.78 CA12 (0.62) CA2CA12CA1CA7CA9
SCHEMBL10639955 0.76 TRPV4 (0.50) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL9767366 0.76 TSHR (0.46) TSHRPOLBMAPK1CYP1A2CYP1A1
SCHEMBL2089923 0.76 GAA (0.43) ACHEPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2089921 0.76 GAA (0.43) ACHEPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL17111427 0.72 PDE4B (0.42) CA2CA12CA1CA7CA9
SCHEMBL17111425 0.72 PDE4B (0.42) CA2CA12CA1CA7CA9

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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH CA2 732/4885CA12 1255/4885CA1 2184/4885

“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.