SCHEMBL7212463

SCHEMBL7212463

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
LPAR3 Q9UBY5 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
F7 P08709 2/20 0.48
F3 P13726 2/20 0.48
CYP19A1 P11511 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
OXER1 Q8TDS5 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
FFAR1 O14842 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PLA2G1B P04054 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7211101 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7212459 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7212475 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7212455 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7217356 0.95 ALDH1A1 (0.54) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7217354 0.95 ALDH1A1 (0.54) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7217351 0.95 ALDH1A1 (0.54) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7217630 0.92 ALDH1A1 (0.61) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7217626 0.92 ALDH1A1 (0.61) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5
SCHEMBL7217623 0.92 ALDH1A1 (0.61) ALDH1A1MAPTLPAR3SMN1; SMN2SLC6A5

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 3417/4885LPAR3 24/4885

“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.