SCHEMBL7528838

SCHEMBL7528838

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
FABP3 P05413 10/20 0.37
FABP4 P15090 7/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
TBXAS1 P24557 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
SCHEMBL7520497 0.95 ADORA1 (0.40) ADORA1FABP3FABP4ALDH1A1SMN1; SMN2
SCHEMBL7526545 0.91 ADORA1 (0.38) ADORA1FABP3FABP4ALDH1A1SMN1; SMN2
SCHEMBL7521639 0.90 PTGIR (0.42) ADORA1ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL7523413 0.87 ADORA1 (0.39) ADORA1ALDH1A1POLBHPGD
SCHEMBL7519017 0.82 PTGIR (0.42) ALDH1A1POLBHPGD
SCHEMBL7524391 0.82 PTGIR (0.40) ADORA1ALDH1A1POLBHPGD
SCHEMBL7962722 0.81 ADORA1 (0.38) ADORA1FABP4ALDH1A1SMN1; SMN2POLB
SCHEMBL7531034 0.80 ADORA1 (0.43) ADORA1FABP3FABP4FFAR4SNCA
SCHEMBL7523958 0.79 ALDH1A1 (0.36) ADORA1FABP3FABP4ALDH1A1SMN1; SMN2
SCHEMBL7529042 0.79 PTGIR (0.41) ALDH1A1POLBHPGD

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.