SCHEMBL3338176

SCHEMBL3338176

CCc1[c]ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
TUBB1 Q9H4B7 2/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AOC3 Q16853 1/20 0.32
ACHE P22303 1/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31

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
SCHEMBL2439838 0.84 SMN1; SMN2 (0.35) PTGS2SMN1; SMN2TUBB1AOC3CA2
SCHEMBL9811854 0.82 ALDH1A1 (0.35) PTGS2SMN1; SMN2TUBB1AOC3ACHE
SCHEMBL8097028 0.80 PTGS2 (0.32) PTGS2PDE3BPDE3ACA9CA12
SCHEMBL16094670 0.80 PTGS2 (0.32) PTGS2ACHECA9CA12CA1
SCHEMBL15063533 0.80 PTGS2 (0.32) PTGS2
SCHEMBL8479607 0.78 TDP1 (0.34) PTGS2TUBB1CA9CA12CA1
SCHEMBL7669904 0.74 TUBB4A (0.57) TUBB1AOC3TUBB4ATUBBTUBA3C
SCHEMBL64882 0.73 CA1 (0.42) PTGS2SMN1; SMN2CA9CA12CA1
SCHEMBL7743958 0.73 PTGS2 (0.42) PTGS2TUBB1ACHECA9MAPT
SCHEMBL77640 0.72 CA9 (0.35) PTGS2SMN1; SMN2TUBB1ACHECA9

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-9029400-B2 5-oxoisoxazoles as inhibitors of lipases and phospholipases SANOFI (FR) 2015-05-12 US disclosed
US-20100152246-A1 5-Oxoisoxazoles as inhibitors of lipases and phospholipases SANOFI-AVENTIS (FR) 2010-06-17 US disclosed
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
EP-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP disclosed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO 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-20100152246-A1 5-Oxoisoxazoles as inhibitors of lipases and phospholipases PLAAT5, PNLIP, PLA2G5 PTGS2 992/4885SMN1; SMN2 4352/4885TUBB1 3222/4885

“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.