SCHEMBL24868587

SCHEMBL24868587

CC(C)c1cnc(C(C)C)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
AR P10275 6/20 0.34
HSD11B1 P28845 1/20 0.34
TRPA1 O75762 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KMT2A Q03164 2/20 0.32
PGR P06401 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MEN1 O00255 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL21419075 0.81 TRPA1 (0.33) ARTRPA1KMT2ANR1H2NR1H3
SCHEMBL15481059 0.81 PSMD14 (0.33) ARHSD11B1TRPA1KMT2ANR1H2
SCHEMBL17517152 0.81 RXRA (0.34) RXRAGRIN1GRIN2BARHSD11B1
SCHEMBL24910218 0.81 RXRA (0.37) RXRAGRIN1GRIN2BARHSD11B1
SCHEMBL16689550 0.81 KMT2A (0.44) KMT2AMEN1
SCHEMBL12966708 0.79 RXRA (0.34) RXRAGRIN1GRIN2BARHSD11B1
SCHEMBL20285932 0.79 PIK3CD (0.45) RXRAGRIN1GRIN2BARHSD11B1
SCHEMBL12303889 0.79 TRPA1 (0.32) ARTRPA1KMT2ANR1H2NR1H3
SCHEMBL29435597 0.79 MAP3K12 (0.45)
SCHEMBL12299837 0.79 L3MBTL1 (0.41) HSD11B1TRPA1KMT2AMEN1

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-20230141913-A2 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERACTIVE ACTIVITY Xeniopro GmbH (DE) 2023-05-11 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO 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-20230141913-A2 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERACTIVE ACTIVITY AHR, MUSK, TYR RXRA 705/4885GRIN1 4874/4885GRIN2B 4832/4885

“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.