SCHEMBL9105287

SCHEMBL9105287

CCC=CCC=CCC=CCC=CCC=CCC=CCC(Cc1cccnc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TBXAS1 P24557 5/20 0.46
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
FDPS P14324 1/20 0.43
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
CHRM1 P11229 1/20 0.40
SREBF2 Q12772 1/20 0.40

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
SCHEMBL9105279 1.00 KDM4E (0.48) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL4734008 0.85 CYP1A2 (0.58) CYP1A2GRIK1GRIK2
SCHEMBL2566762 0.81 PKM (0.60) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL30660224 0.81 PKM (0.60) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL7384333 0.80 CYP1A2 (0.62) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL21896075 0.76 TBXAS1 (0.56) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL20366127 0.75 CPA1 (0.67) KDM4ETBXAS1NAPRTANPEPERAP2
SCHEMBL5051173 0.74 PKM (0.49) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL30127868 0.73 TBXAS1 (0.50) KDM4ETBXAS1PKMKMT2ANAPRT
SCHEMBL5060427 0.73 TBXAS1 (0.53) KDM4ETBXAS1PKMKMT2ANAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753652-B2 Pharmaceutical composition including a DHA ester to be administered parenterally PIERRE FABRE MEDICAMENT (FR) 2014-06-17 US disclosed
US-20120141563-A1 PHARMACEUTICAL COMPOSITION INCLUDING A DHA ESTER TO BE ADMINISTERED PARENTERALLY PIERRE FABRE MEDICAMENT (FR) 2012-06-07 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-20120141563-A1 PHARMACEUTICAL COMPOSITION INCLUDING A DHA ESTER TO BE ADMINISTERED PARENTERALLY LIPA, ALOX5, ALOX15B KDM4E 4379/4885TBXAS1 381/4885PKM 2131/4885

“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.