SCHEMBL3901589

SCHEMBL3901589

COCOC(=O)c1ccc(Cl)c(OCOC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B2 P37059 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
EGFR P00533 2/20 0.40
CLCN2 P51788 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3369968 0.79 HDAC6 (0.52) TSHRKDM4EPOLBHDAC6HDAC8
SCHEMBL16382251 0.79 ESR1 (0.43) MAPTTSHRHSD17B2KDM4EPOLB
SCHEMBL8993605 0.78 HSD17B2 (0.54) MAPTHSD17B2KDM4EPOLBALDH1A1
SCHEMBL13218481 0.78 CA2 (0.50) MAPTHSD17B2KDM4EPOLBHDAC6
SCHEMBL1748566 0.78 HSD17B2 (0.56) TSHRHSD17B2KDM4EALDH1A1LMNA
SCHEMBL3480463 0.77 HSD17B2 (0.59) MAPTTSHRHSD17B2ALDH1A1KMT2A
SCHEMBL12800816 0.77 MAPT (0.51) MAPTTSHRPOLBALDH1A1EGFR
SCHEMBL26874203 0.76 PTPN1 (0.40) MAPTTSHRHSD17B2KDM4EPOLB
SCHEMBL14898425 0.76 ESR1 (0.52) MAPTTSHRALDH1A1KMT2AHPGD
SCHEMBL1630042 0.76 HSD17B2 (0.57) MAPTTSHRHSD17B2KDM4EPOLB

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-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 MAPT 4697/4885TSHR 368/4885HSD17B2 189/4885

“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.