SCHEMBL22104255

SCHEMBL22104255

CCC(=N)CSC1CCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SLC2A1 P11166 1/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
GBA1 P04062 2/20 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
SCHEMBL23352576 1.00 ALDH1A1 (0.38) ALDH1A1SLC2A1MAPK1RAB9AALOX15
SCHEMBL8425536 0.73 ALDH1A1 (0.42) ALDH1A1SLC2A1MAPK1RAB9AALOX15
SCHEMBL13934134 0.70 ALDH1A1 (0.47) ALDH1A1SLC2A1MAPK1RAB9AALOX15
SCHEMBL10632064 0.69 SLC2A1 (0.44) ALDH1A1SLC2A1RAB9ATSHRNPC1
SCHEMBL27571573 0.69 SLC2A1 (0.44) ALDH1A1SLC2A1RAB9ATSHRNPC1
SCHEMBL575744 0.69
SCHEMBL8700406 0.69 SLC2A1 (0.44) ALDH1A1SLC2A1RAB9ATSHRNPC1
SCHEMBL1200818 0.67 KMT2A (0.46) ALDH1A1MAPK1RAB9AALOX15TSHR
SCHEMBL24564744 0.67 KMT2A (0.46) ALDH1A1MAPK1RAB9AALOX15TSHR
SCHEMBL979441 0.67 ALDH1A1 (0.45) ALDH1A1SLC2A1MAPK1RAB9AALOX15

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-20200190165-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO SOLUBLE PROTEIN, CLEAVABLE PORTION AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 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-20200190165-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO SOLUBLE PROTEIN, CLEAVABLE PORTION AND REACTIVE GROUP, OR SALT THEREOF SPPL2B, CSTB, SPPL2A ALDH1A1 1832/4885SLC2A1 3906/4885MAPK1 998/4885

“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.