SCHEMBL23822784

SCHEMBL23822784

CCC(C)(CC)c1cc(F)c(C(C)(CC)CC)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
CNR2 P34972 4/20 0.33
KIF11 P52732 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL19504378 0.84 CNR2 (0.33) HTR2AHTR2CHTR2BCNR2KIF11
SCHEMBL19833099 0.83 ESR1 (0.31)
SCHEMBL23822750 0.75 TAAR1 (0.32)
SCHEMBL22024139 0.75 L3MBTL1 (0.43) HTR2AHTR2CHTR2BSMN1; SMN2MEN1
SCHEMBL19504309 0.74 FGFR2 (0.33) HTR2AHTR2CHTR2BKIF11POLB
SCHEMBL18649026 0.73 RIPK1 (0.40) MEN1KMT2A
SCHEMBL19497736 0.73 HDAC1 (0.33)
SCHEMBL18649031 0.72 NPC1 (0.33) SMN1; SMN2
SCHEMBL19504377 0.71 CNR2 (0.38) CNR2MEN1ALDH1A1KMT2ACNR1
SCHEMBL23822851 0.71 AR (0.36)

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-20210284636-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2021-09-16 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-20210284636-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 HTR2A 3597/4885HTR2C 2236/4885HTR2B 2632/4885

“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.