SCHEMBL7526545

SCHEMBL7526545

O=C(O)CCCOc1cccc2c1Cc1sc(SCC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
FABP3 P05413 10/20 0.38
FABP4 P15090 7/20 0.38
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR5 Q9H228 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL7528838 0.91 ADORA1 (0.39) ADORA1FABP3FABP4SRD5A1SRD5A2
SCHEMBL7524391 0.90 PTGIR (0.40) ADORA1ALDH1A1POLBHPGD
SCHEMBL7523958 0.88 ALDH1A1 (0.36) ADORA1FABP3FABP4ALDH1A1SMN1; SMN2
SCHEMBL7520497 0.86 ADORA1 (0.40) ADORA1FABP3FABP4ALDH1A1SMN1; SMN2
SCHEMBL7523413 0.82 ADORA1 (0.39) ADORA1ALDH1A1POLBHPGD
SCHEMBL7519031 0.82 PTGIR (0.42) ALDH1A1POLBHPGD
SCHEMBL7521639 0.82 PTGIR (0.42) ADORA1ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL7531034 0.80 ADORA1 (0.43) ADORA1FABP3FABP4FFAR4S1PR5
SCHEMBL7523651 0.77 PTGIR (0.40) ADORA1ALDH1A1POLBHPGDHSD17B10
SCHEMBL7520563 0.76 PPARD (0.42) ADORA1ALDH1A1SMN1; SMN2POLBHPGD

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ADORA1 210/4885FABP3 2512/4885FABP4 3301/4885

“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.