SCHEMBL7523958

SCHEMBL7523958

O=C(O)CCOc1cccc2c1CCc1sc(SCC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 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
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGIR P43119 4/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
DHODH Q02127 1/20 0.33
S1PR5 Q9H228 4/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL7519031 0.90 PTGIR (0.42) ALDH1A1POLBHPGDNPC1RAB9A
SCHEMBL7523205 0.88 LMNA (0.36) ALDH1A1SMN1; SMN2USP2TP53CASP1
SCHEMBL7526545 0.88 ADORA1 (0.38) ALDH1A1SMN1; SMN2USP2TP53CASP1
SCHEMBL7520497 0.84 ADORA1 (0.40) ALDH1A1SMN1; SMN2USP2TP53CASP1
SCHEMBL7524391 0.83 PTGIR (0.40) ALDH1A1POLBHPGDPTGIRADORA1
SCHEMBL7521850 0.82 PPARA (0.37) ALDH1A1TP53LMNAPOLBHPGD
SCHEMBL7519017 0.82 PTGIR (0.42) ALDH1A1POLBHPGDPTGIRKMT2A
SCHEMBL7529042 0.80 PTGIR (0.41) ALDH1A1POLBHPGDPTGIRKMT2A
SCHEMBL7528838 0.79 ADORA1 (0.39) ALDH1A1SMN1; SMN2USP2TP53CASP1
SCHEMBL7519310 0.78 PTGIR (0.43) ALDH1A1POLBHPGDNPC1RAB9A

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 ALDH1A1 1662/4885SMN1; SMN2 4234/4885USP2 4604/4885

“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.