SCHEMBL7217356

SCHEMBL7217356

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nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
ADORA3 P0DMS8 2/20 0.46
CYP19A1 P11511 2/20 0.46
RXRA P19793 2/20 0.46
PPARG P37231 2/20 0.46
OXER1 Q8TDS5 2/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
KCNK3 O14649 1/20 0.45
THRB P10828 1/20 0.45
CNR2 P34972 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7217354 1.00 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2SLC6A5ADORA3
SCHEMBL7217351 1.00 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2SLC6A5ADORA3
SCHEMBL7212463 0.95 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2SLC6A5CYP19A1
SCHEMBL7212475 0.95 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2SLC6A5CYP19A1
SCHEMBL7212459 0.95 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2SLC6A5CYP19A1
SCHEMBL7212455 0.95 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2SLC6A5CYP19A1
SCHEMBL7211101 0.95 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2SLC6A5CYP19A1
SCHEMBL7217626 0.94 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2SLC6A5ADORA3
SCHEMBL7217630 0.94 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2SLC6A5ADORA3
SCHEMBL7217623 0.94 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2SLC6A5ADORA3

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-1161436-B1 Polyunsaturated fatty acid derivatives and their use in the treatment of cancer ARDENIA INVESTMENTS LTD (GI) 2003-06-25 EP disclosed
US-6403554-B2 Polyunsaturated fatty acid derivatives and their use ARDENIA INVESTMENTS LTD. (GI) 2002-06-11 US disclosed
US-20010037032-A1 Polyunsaturated fatty acid derivatives and their use OASMIA PHARMACEUTICAL AB (SE) 2001-11-01 US disclosed
US-6274747-B1 COMPOUNDS CONTAINING A PHOSPHATE GROUP AND SECONDARY AMIDE GROUP; ANTICANCER AGENTS ARDENIA INVESTMENTS LTD. (GI) 2001-08-14 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-20010037032-A1 Polyunsaturated fatty acid derivatives and their use RXRA, RXRB, LPAR2 ALDH1A1 650/4885MAPT 3417/4885SMN1; SMN2 2834/4885

“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.