SCHEMBL20089653

SCHEMBL20089653

CCC(C)(CC)c1ccc(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.43
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFE2L2 Q16236 3/20 0.33
ACHE P22303 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL10193081 0.84 KIF11 (0.43) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL19464698 0.82 RIPK1 (0.41) CYP11B1CYP11B2NFE2L2
SCHEMBL23821044 0.80 ESR1 (0.35) KIF11
SCHEMBL26326946 0.79 KIF11 (0.40) KIF11CYP11B1CYP11B2SMN1; SMN2
SCHEMBL441485 0.79 KIF11 (0.44) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL6090490 0.78 KIF11 (0.42) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL19464679 0.78 HDAC3 (0.39)
SCHEMBL19965727 0.78 KIF11 (0.40) KIF11SMN1; SMN2
SCHEMBL14640087 0.77 KIF11 (0.42) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL30893085 0.76 TRPA1 (0.46) SMN1; SMN2ACHECYP1A2

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-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 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-20180111931-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KIF11 1807/4885CYP11B1 10/4885CYP11B2 16/4885

“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.