SCHEMBL26857799

SCHEMBL26857799

O=C(O)[C@@H]1CC[C@@H](Oc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ACSL1 P33121 3/20 0.47
FFAR4 Q5NUL3 8/20 0.46
ACSL3 O95573 1/20 0.46
ACSL6 Q9UKU0 1/20 0.46
HRH1 P35367 1/20 0.46
DGAT1 O75907 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL10188580 0.90 FFAR4 (0.52) AKR1C3AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL1749499 0.89 ACSL1 (0.56) AKR1C3AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL10455781 0.88 ELANE (0.57) AKR1C3AKR1C1ACSL1FFAR4ACSL3
SCHEMBL795203 0.87 SLC6A4 (0.52) AKR1C3AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL26857966 0.86 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3ACSL1FFAR4
SCHEMBL11644936 0.85 FFAR4 (0.45) AKR1C3AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL16112493 0.83 KDM1A (0.49) SLC6A4SLC6A2SLC6A3FFAR4HRH1
SCHEMBL11645611 0.83 FFAR4 (0.44) SLC6A4SLC6A2SLC6A3FFAR4HRH1
SCHEMBL10454525 0.81 KMT2A (0.53) AKR1C3AKR1C1ACSL1ACSL3ACSL6
SCHEMBL6932018 0.80 FFAR4 (0.49) SLC6A4SLC6A2SLC6A3FFAR4HRH1

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-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 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-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 AKR1C3 4583/4885AKR1C1 4566/4885SLC6A4 4326/4885

“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.