SCHEMBL26580906

SCHEMBL26580906

Cc1nc2c(F)ccc(C(C)C)c2o1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FBP1 P09467 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL26580905 0.86 GPR55 (0.32) GPR55ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12032783 0.85 GPR55 (0.35) GPR55FBP1ALDH1A1KDM4EMEN1
SCHEMBL12052974 0.82 GPR55 (0.40) GPR55FBP1ALDH1A1KDM4EMEN1
SCHEMBL24351118 0.81 FBP1 (0.33) HDAC6FBP1
SCHEMBL25113501 0.79 FBP1 (0.36) HDAC6FBP1
SCHEMBL26580914 0.78 ESR1 (0.31)
SCHEMBL26580913 0.76
SCHEMBL26580916 0.72 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL14327833 0.69 MTNR1A (0.31)
SCHEMBL26580915 0.69

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 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 (2 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-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS GPR55 4439/4885HDAC6 179/4885FBP1 4298/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS GPR55 4470/4885HDAC6 264/4885FBP1 3871/4885

“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.