SCHEMBL22560175

SCHEMBL22560175

CCCCc1c(CCCCC(=O)O)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.61
LTB4R2 Q9NPC1 8/20 0.61
PPARA Q07869 1/20 0.58
ALOX5 P09917 1/20 0.54
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL27650897 0.85 PTGS2 (0.60) PPARAALOX5PTGS2ALDH1A1LMNA
SCHEMBL8686236 0.84 LTB4R (0.59) LTB4RLTB4R2PPARAHDAC1HDAC6
SCHEMBL27916839 0.84 PTGS2 (0.68) PPARAALOX5PTGS2
SCHEMBL28691569 0.83 PTGS2 (0.59) LTB4RLTB4R2PPARAALOX5PTGS2
SCHEMBL1206771 0.81 LTB4R (0.56) LTB4RLTB4R2PPARALMNAHPGD
Propionic Acid SCHEMBL27928896 0.81 KDM4E (0.53) LTB4RLTB4R2PPARAALOX5PTGS2
SCHEMBL6112724 0.80 PPARA (0.52) LTB4RLTB4R2PPARAALOX5PTGS2
SCHEMBL7827662 0.80 ALOX5 (0.68) LTB4RLTB4R2PPARAALOX5PTGS2
SCHEMBL709396 0.80 LTB4R (0.59) LTB4RLTB4R2PPARALMNAHPGD
Acetic Acid SCHEMBL27946451 0.79 PPARA (0.54) PPARAALOX5PTGS2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents BAYLOR UNIVERSITY (US) 2020-10-20 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-10807932-B2 Benzosuberene analogues and related compounds with activity as anticancer agents TUBB1, TUBB3, TUBB LTB4R 3130/4885LTB4R2 3403/4885PPARA 2374/4885

“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.