SCHEMBL24916397

SCHEMBL24916397

COc1ccc2c(OC)ncc(C(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
ACHE P22303 1/20 0.40
CHUK O15111 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL24916401 0.83 P2RX3 (0.42) P2RX3P2RX2ACHEMEN1KMT2A
SCHEMBL31005764 0.82 PDPK1 (0.38) P2RX3P2RX2KDM4EALDH1A1MAPT
SCHEMBL24916396 0.82 DYRK1A (0.41) P2RX3P2RX2MEN1KMT2ATSHR
SCHEMBL25003192 0.82 SMN1; SMN2 (0.38) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL8273115 0.79 CA12 (0.44) ACHECHUKMEN1KMT2ATSHR
SCHEMBL21872083 0.79 ALDH1A1 (0.52) P2RX3P2RX2KMT2ATSHRKDM4E
SCHEMBL18100991 0.78 MAOA (0.37) ALDH1A1CYP1A2CYP2C19DYRK1A
SCHEMBL8271703 0.78 PLAU (0.45) ACHECHUKMEN1KMT2ATSHR
SCHEMBL13757322 0.78 ACHE (0.41) ACHECHUKMEN1KMT2ATSHR
SCHEMBL15178715 0.76 ACHE (0.41) ACHECHUKMEN1KMT2ATSHR

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 P2RX3 3671/4885P2RX2 3727/4885ACHE 4492/4885

“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.