SCHEMBL5212912

SCHEMBL5212912

COC(=O)CCc1oc(=O)[nH]c1-c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.40
PKM P14618 1/20 0.40
VDR P11473 1/20 0.40
PPARD Q03181 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NOTUM Q6P988 1/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
F2RL1 P55085 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
ALPL P05186 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
SCHEMBL6604920 0.87 EGFR (0.46) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL5212080 0.87 MAPK14 (0.42) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL5212142 0.87 KDM4E (0.45) ALDH1A1HTTMAPTGAAHPGD
SCHEMBL1361189 0.84 APOL1 (0.39) ALDH1A1MAPTHPGDKDM4EPPARD
SCHEMBL1361195 0.81 EGFR (0.41) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL7462336 0.80 EGFR (0.41) ALDH1A1MAPTHPGDLMNACYP11B1
SCHEMBL5207996 0.78 EGFR (0.45) ALDH1A1HTTMAPTHPGDKDM4E
SCHEMBL3099432 0.71 NOTUM (0.49) ALDH1A1MAPTHPGDKDM4EPKM
SCHEMBL2277479 0.71 F2RL1 (0.67) ALDH1A1HTTMAPTLMNACYP11B1
SCHEMBL5208765 0.71 MAPT (0.51) ALDH1A1HTTMAPTGAAHPGD

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ALDH1A1 1651/4885HTT 1097/4885MAPT 3958/4885

“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.