SCHEMBL3907152

SCHEMBL3907152

CCc1oc(-c2cccc(OC)c2)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL3106777 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1KMT2APKM
SCHEMBL3102243 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1KMT2APKM
SCHEMBL3102220 0.83 MAPT (0.55) VDRHDAC3HDAC1HDAC2HDAC8
SCHEMBL3903128 0.77 KDM4E (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL380970 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10SMN1; SMN2HPGDKDM4E
SCHEMBL3905767 0.76 ALDH1A1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3901469 0.76 ALDH1A1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3901474 0.76 ALDH1A1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4939182 0.75 SLC9A1 (0.65) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3915125 0.75 VDR (0.43) VDRHDAC3HDAC1HDAC2HDAC8

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
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 VDR 329/4885HDAC3 1029/4885HDAC1 559/4885

“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.