SCHEMBL24926253

SCHEMBL24926253

CCCC(C)(CC)NC(=O)CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CACNA1H O95180 1/20 0.38
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 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
SCHEMBL11985629 0.98 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1CHRM5
SCHEMBL24926306 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1CHRM5
SCHEMBL11985634 0.88 SIGMAR1 (0.44) ALDH1A1SMN1; SMN2SIGMAR1CACNA1HPOLB
SCHEMBL11985636 0.86 KDM4E (0.49) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24926263 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL13975161 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL10101745 0.77 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL24926282 0.75 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL12454178 0.75 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL24926262 0.75 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2SIGMAR1TDP1CACNA1H

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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 ALDH1A1 3787/4885SMN1; SMN2 2381/4885SIGMAR1 4523/4885

“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.