SCHEMBL24503572

SCHEMBL24503572

CCCC1CCCN1CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR5 Q9H228 3/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
SPHK2 Q9NRA0 5/20 0.31
SPHK1 Q9NYA1 5/20 0.31
HTT P42858 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL12788429 0.84 ATM (0.43) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL17618091 0.84 ATM (0.43) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL12966705 0.84 ATM (0.43) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL21451253 0.83 L3MBTL1 (0.42) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL10181568 0.81 ALDH1A1 (0.47) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL12064295 0.81 ALDH1A1 (0.47) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL12064296 0.81 ALDH1A1 (0.47) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Hydrochloric Acid SCHEMBL30330329 0.79 ALDH1A1 (0.46) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Fluoride SCHEMBL30331161 0.79 ALDH1A1 (0.46) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL12891026 0.78 POLB (0.42) ALDH1A1L3MBTL1SPHK2SPHK1

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-11360095-B2 Isobaric mass labels ELECTROPHORETICS LIMITED (GB) 2022-06-14 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-11360095-B2 Isobaric mass labels SRMS, PTMS, QPCTL S1PR1 4025/4885S1PR3 4208/4885S1PR5 3677/4885

“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.