SCHEMBL5197841

SCHEMBL5197841

COc1ccc(C(=O)CC(I)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.47
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 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
SCHEMBL5194943 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTMMP1MMP2
SCHEMBL5195795 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTMMP1MMP2
SCHEMBL5196986 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTMMP1MMP2
SCHEMBL5196396 0.81 TSHR (0.47) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19984702 0.76 HDAC3 (0.58) ALDH1A1MAPTMMP1NPC1RAB9A
SCHEMBL5195610 0.76 HDAC3 (0.58) ALDH1A1MAPTMMP1NPC1RAB9A
SCHEMBL3104440 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTEPHX2GSK3B
SCHEMBL728368 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1162950 0.74 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10918323 0.73 POLB (0.60) ALDH1A1SMN1; SMN2MAPTEPHX2GSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES ALDH1A1 349/4885SMN1; SMN2 4364/4885MAPT 4136/4885

“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.