SCHEMBL24915600

SCHEMBL24915600

COc1cnc2c(C)ccc(C(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.40
P2RX2 Q9UBL9 3/20 0.40
GPR55 Q9Y2T6 2/20 0.39
CNR2 P34972 2/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
RECQL P46063 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
NSD2 O96028 1/20 0.34
CASP6 P55212 1/20 0.34
TNKS O95271 1/20 0.33
GPR18 Q14330 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL24915645 0.78 NSD2 (0.44) P2RX3P2RX2NSD2CASP6
SCHEMBL29923591 0.78 NQO2 (0.37) TNKSMEN1KMT2AMAPT
SCHEMBL24916494 0.78 NQO2 (0.37) TNKSMEN1KMT2AMAPT
SCHEMBL21783731 0.73 MTNR1B (0.47) RECQLMEN1KMT2AHSD17B10
SCHEMBL24916213 0.72 ATP4A (0.43) P2RX3P2RX2CNR2ATP4AATP4B
SCHEMBL24842479 0.71 P2RX3 (0.40) P2RX3P2RX2RECQLMEN1ALDH1A1
SCHEMBL19297226 0.70 GPR55 (0.36) GPR55ATP4AATP4BMEN1KMT2A
SCHEMBL26400677 0.70 MET (0.43) P2RX3P2RX2
SCHEMBL24915594 0.70 MTNR1B (0.33) P2RX3P2RX2MEN1ALDH1A1ALOX15
SCHEMBL24916219 0.69 PDE10A (0.41) P2RX3P2RX2NSD2CASP6MEN1

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 3727/4885GPR55 1904/4885

“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.