SCHEMBL30007568

SCHEMBL30007568

CCc1cc2c(cc1OC(CC)C(=O)O)c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
PLA2G2A P14555 3/20 0.40
FABP4 P15090 1/20 0.38
TSPO P30536 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
PLA2G2F Q9BZM2 1/20 0.37
PLA2G2E Q9NZK7 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6983468 0.88 HTR6 (0.51) HTR6PLA2G2ATSPO
SCHEMBL6694888 0.88 HTR6 (0.51) HTR6PLA2G2ATSPO
SCHEMBL6982832 0.84 HTR6 (0.46) HTR6PLA2G2AFABP4TSPO
SCHEMBL6982837 0.84 HTR6 (0.46) HTR6PLA2G2AFABP4TSPO
SCHEMBL29862597 0.83 PLA2G2A (0.51) HTR6PLA2G2A
SCHEMBL818729 0.83 PLA2G2A (0.51) HTR6PLA2G2A
SCHEMBL819415 0.83 PLA2G2A (0.51) HTR6PLA2G2A
SCHEMBL29862369 0.83 PLA2G2A (0.51) HTR6PLA2G2A
SCHEMBL818313 0.81 PLA2G2A (0.53) HTR6PLA2G2A
SCHEMBL29862401 0.81 PLA2G2A (0.53) HTR6PLA2G2A

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-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS OPHIREX INC (US) 2022-11-24 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-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS PLA2G12A, PLA2G3, PLA2G1B HTR6 2139/4885PLA2G2A 14/4885FABP4 3113/4885

“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.