SCHEMBL6926376

SCHEMBL6926376

CCC=CCC=CCCC(S)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ CYP19A1 P11511 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ PPARG P37231 3/20 0.55
▸ OXER1 Q8TDS5 3/20 0.55
▸ RXRA P19793 2/20 0.55
▸ FFAR1 O14842 2/20 0.55
▸ PTGS1 P23219 4/20 0.51
▸ F7 P08709 3/20 0.51
▸ F3 P13726 3/20 0.51
▸ PPARA Q07869 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ PPARD Q03181 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ NR1I2 O75469 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PLA2G1B P04054 1/20 0.49

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
SCHEMBL1603312 1.00 ALDH1A1 (0.55) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL7756262 0.81 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL7756270 0.81 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL7718720 0.79 PPARG (0.58) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18338746 0.77 ALDH1A1 (0.51) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18338745 0.77 ALDH1A1 (0.51) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18346912 0.77 ALDH1A1 (0.51) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL6327564 0.74 GPR84 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL6327567 0.74 GPR84 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18951927 0.74 ALDH1A1 (0.47) ALDH1A1CYP19A1MAPTPPARGOXER1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218333-A4 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 — — EP claimed
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PEPLIN BIOLIPIDS PTY LTD (AU) 2003-05-15 — — US claimed
JP-2003509485-A — — 2003-03-11 — — JP claimed
EP-1218333-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 — — EP claimed
WO-2001021575-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 — — WO claimed

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-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 ALDH1A1 856/4885CYP19A1 475/4885MAPT 4734/4885

“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.

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