SCHEMBL25795077

SCHEMBL25795077

CC(C)c1cc(C2(C(F)(F)F)CCC2)no1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.35
SMN1; SMN2 Q16637 6/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
NEK7 Q8TDX7 1/20 0.30

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
SCHEMBL23966920 0.93 SMN1; SMN2 (0.33) BRAFSMN1; SMN2NPC1TSHRRAB9A
SCHEMBL24072581 0.80 TRPM8 (0.34) BRAF
SCHEMBL23966641 0.77 MEN1 (0.36) BRAFSMN1; SMN2NPC1RAB9A
SCHEMBL1012408 0.77 NEK7 (0.33) BRAFNEK7
SCHEMBL25800378 0.76 SMN1; SMN2 (0.36) SMN1; SMN2NPC1TSHRRAB9AS1PR1
SCHEMBL25793269 0.74 BRAF (0.47) BRAFNEK7
SCHEMBL24033640 0.73 GRM5 (0.32)
SCHEMBL24410110 0.72 NEK7 (0.31) NEK7
SCHEMBL25799350 0.72 SMN1; SMN2 (0.35) SMN1; SMN2NPC1TSHRRAB9AS1PR1
SCHEMBL23966711 0.70 MEN1 (0.38) SMN1; SMN2NPC1RAB9A

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 BRAF 1615/4885SMN1; SMN2 3670/4885NPC1 348/4885

“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.