SCHEMBL10102795

SCHEMBL10102795

CCOC(=O)c1cc(C)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA7 P43166 6/20 0.44
CA9 Q16790 6/20 0.44
CA14 Q9ULX7 6/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TSHR P16473 1/20 0.42
AKR1B1 P15121 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL28069255 0.83 ESR1 (0.50) TSHRMAPK1ESR1CYP3A4LMNA
SCHEMBL3016097 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29591835 0.81 LMNA (0.49) CA12CA1CA2CA7CA9
SCHEMBL16666774 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL419072 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL26983112 0.80 LMNA (0.47) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL29593023 0.80 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL20624751 0.80 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL14372978 0.80 MAPT (0.56) CA12CA1CA2CA7CA9
SCHEMBL22005701 0.80 TDP1 (0.53) TSHRAKR1B1L3MBTL1MAPK1CYP3A4

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-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 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-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AADAC, DDC, TPMT CA12 1556/4885CA1 1261/4885CA2 1270/4885

“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.