SCHEMBL22110352

SCHEMBL22110352

CCN1CCCC1CCOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 1/20 0.44
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CHRM3 P20309 1/20 0.43
SLC18A2 Q05940 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21908568 0.88 TRPV6 (0.50) KDM4ELMNARAB9ASMN1; SMN2SPHK2
SCHEMBL19947782 0.88 TRPV6 (0.50) KDM4ELMNARAB9ASMN1; SMN2SPHK2
SCHEMBL19948638 0.88 TRPV6 (0.50) KDM4ELMNARAB9ASMN1; SMN2SPHK2
SCHEMBL8806151 0.81 ADRA2A (0.52) SMN1; SMN2LTA4HHRH3CHRM3
SCHEMBL22110281 0.80 SLC18A2 (0.43) LTA4HCHRM3SLC18A2
SCHEMBL11385902 0.80 RAB9A (0.50) RAB9ASMN1; SMN2ACHEKMT2A
SCHEMBL10684415 0.77 SLC18A2 (0.61) SLC18A2KMT2A
SCHEMBL14509642 0.76 LTA4H (0.45) LTA4HSPHK2SPHK1HRH3
SCHEMBL12125006 0.75
SCHEMBL19617897 0.75 TRPV6 (0.55) HRH3

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-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME SPARK BIOPHARM, INC. (KR) 2020-06-18 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-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME DPYD, NUDT1, NUDT5 KDM4E 1344/4885LMNA 4437/4885RAB9A 1479/4885

“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.