SCHEMBL23434787

SCHEMBL23434787

CC(C)Cc1cc(OC2CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.40
▸ ACACB O00763 4/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.38
▸ MTNR1B P49286 2/20 0.36
▸ APP P05067 1/20 0.36
▸ S1PR3 Q99500 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MLNR O43193 1/20 0.34

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
SCHEMBL22390599 0.79 PARP10 (0.43) FFAR4ACACB
SCHEMBL31345398 0.79 FFAR4 (0.51) PTGS1PTGS2FFAR4ACACBMTNR1B
SCHEMBL31345444 0.79 FFAR4 (0.42) PTGS1PTGS2FFAR4ACACBMTNR1B
SCHEMBL23841515 0.79 NQO1 (0.43) PTGS2FFAR4GAA
SCHEMBL23841532 0.78 GAA (0.53) MTNR1BGAA
SCHEMBL18867917 0.78 GAA (0.53) MTNR1BGAA
SCHEMBL6565551 0.76 PTGS1 (0.48) PTGS1PTGS2FFAR4HRH3APP
SCHEMBL17125204 0.76 PTGS1 (0.50) PTGS1PTGS2FFAR4ACACBHRH3
SCHEMBL17449711 0.74 PDE2A (0.44) FFAR4
SCHEMBL24716435 0.74 PTGS1 (0.46) PTGS1PTGS2FFAR4ACACBHRH3

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-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 — — 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-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 PTGS1 4394/4885PTGS2 4452/4885FFAR4 1078/4885

“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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