SCHEMBL25849453

SCHEMBL25849453

Cc1[nH]c2c(c(=O)c1-c1cccc(Oc3ccc(OC(F)(F)F)cc3)c1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 3/20 0.39
CREBBP Q92793 1/20 0.38
XDH P47989 1/20 0.38
BTK Q06187 2/20 0.36
DHODH Q02127 1/20 0.36
KDM5A P29375 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
SCHEMBL19047356 0.92 SLC2A1 (0.39) BRD4CREBBPXDHBTKDHODH
SCHEMBL25849456 0.90 NR1H2 (0.41) BRD4NR1H2NR1H3CREBBP
SCHEMBL19032058 0.89 SLC2A1 (0.43) BRD4
SCHEMBL25849408 0.88 BRD4 (0.45) BRD4CREBBP
SCHEMBL25849454 0.86 SLC2A1 (0.49) BRD4CREBBP
SCHEMBL24046937 0.85 BRD4 (0.45) BRD4NR1H2NR1H3CREBBP
SCHEMBL19047179 0.84 BRD4 (0.45) BRD4NR1H2NR1H3CREBBP
SCHEMBL25849457 0.83 BRD4 (0.44) BRD4NR1H2NR1H3CREBBP
SCHEMBL25849459 0.83 BRD4 (0.41) BRD4NR1H2NR1H3CREBBP
SCHEMBL19032127 0.82 SLC2A1 (0.41) BRD4CREBBP

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-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 US disclosed
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 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-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites CYP11B2, CYP11B1, COX5B BRD4 855/4885NR1H2 191/4885NR1H3 238/4885

“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.