SCHEMBL10102792

SCHEMBL10102792

CCOC(=O)c1cc(C)c(Br)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 5/20 0.44
MAPT P10636 4/20 0.44
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 2/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL418240 0.86 AKR1B1 (0.46) AKR1B1HDAC4HDAC6TSHRMAPT
SCHEMBL17130042 0.81 MAPT (0.53) TSHRMAPTALOX15HSD17B10SMN1; SMN2
SCHEMBL31571741 0.81 TAS1R3 (0.49) AKR1B1HDAC4HDAC6TSHRMAPT
SCHEMBL12086844 0.80 HDAC4 (0.44) AKR1B1HDAC4HDAC6TSHRMAPT
SCHEMBL68855 0.76 HDAC4 (0.53) AKR1B1HDAC4HDAC6TSHRMAPT
SCHEMBL20582083 0.75 KMT2A (0.48) SMN1; SMN2HPGDKDM4EALDH1A1MEN1
SCHEMBL19188111 0.74 PIM1 (0.47) AKR1B1HDAC4HDAC6MAPTALOX15
SCHEMBL26244513 0.73 AKR1B1 (0.42) AKR1B1HDAC4HDAC6MAPTALOX15
SCHEMBL28372755 0.73 MAOB (0.56) AKR1B1MAOBSMN1; SMN2HPGDKDM4E
SCHEMBL27185752 0.73 AKR1B1 (0.45) AKR1B1HDAC4HDAC6TSHRMAPT

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 AKR1B1 2088/4885HDAC4 1252/4885HDAC6 1786/4885

“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.