SCHEMBL19765296

SCHEMBL19765296

CC(=O)OCCSSCCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
TSHR P16473 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38

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
SCHEMBL17253261 0.85 ALDH1A1 (0.50) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL901254 0.78 ALOX15 (0.53) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL27086 0.78
SCHEMBL4343290 0.77 ALDH1A1 (0.43) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL1040128 0.77 ALDH1A1 (0.43) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL12109957 0.77 ALDH1A1 (0.54) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL12103657 0.77 ALDH1A1 (0.43) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL16327847 0.77 ALDH1A1 (0.48) ALOX15ALDH1A1CHRM5CHRM1CHRM3
Acetone SCHEMBL7637226 0.76 ALOX15 (0.52) ALOX15ALDH1A1CHRM5CHRM1CHRM3
Methane SCHEMBL766234 0.76 ALOX15 (0.52) ALOX15ALDH1A1CHRM5CHRM1CHRM3

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-20180008687-A1 NANOPARTICLE CONJUGATES OF HIGHLY POTENT TOXINS AND INTRAPERITONEAL ADMINISTRATION OF NANOPARTICLES FOR TREATING OR IMAGING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2018-01-11 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-20180008687-A1 NANOPARTICLE CONJUGATES OF HIGHLY POTENT TOXINS AND INTRAPERITONEAL ADMINISTRATION OF NANOPARTICLES FOR TREATING OR IMAGING CANCER ANXA4, ANXA3, CD47 ACHE 878/4885ALOX15 2083/4885ALDH1A1 3501/4885

“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.