SCHEMBL7217630

SCHEMBL7217630

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)N[C@H](C(=O)O)[C@@H](C)OP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 4/20 0.61
FAAH O00519 1/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
CYP19A1 P11511 4/20 0.44
PPARG P37231 3/20 0.44
OXER1 Q8TDS5 3/20 0.44
RXRA P19793 2/20 0.44
FFAR1 O14842 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PTGS1 P23219 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL7217626 1.00 ALDH1A1 (0.61) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7217623 1.00 ALDH1A1 (0.61) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7217351 0.94 ALDH1A1 (0.54) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7217356 0.94 ALDH1A1 (0.54) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7217354 0.94 ALDH1A1 (0.54) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7212463 0.92 ALDH1A1 (0.52) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7211101 0.92 ALDH1A1 (0.52) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7212455 0.92 ALDH1A1 (0.52) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7212459 0.92 ALDH1A1 (0.52) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL7212475 0.92 ALDH1A1 (0.52) ALDH1A1MAPTFAAHCNR1CNR2

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 6 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
EP-1161436-A1 POLYUNSATURATED FATTY ACID DERIVATIVES AND THEIR USE Ardenia Investments Ltd. (GI) 2001-12-12 EP 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
WO-2000047589-A1 POLYUNSATURATED FATTY ACID DERIVATIVES AND THEIR USE ARDENIA INVESTMENTS LTD. (SE) 2000-08-17 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-20010037032-A1 Polyunsaturated fatty acid derivatives and their use RXRA, RXRB, LPAR2 ALDH1A1 650/4885MAPT 3417/4885FAAH 511/4885

“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.