SCHEMBL29316529

SCHEMBL29316529

CCCOCCOCCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.84
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.51
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ALOX15 P16050 1/20 0.50
CA1 P00915 1/20 0.49

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
SCHEMBL12169334 0.98 ALDH1A1 (0.87) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL8048430 0.94 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL9066249 0.94 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL18894208 0.92 ALDH1A1 (1.00) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL16503455 0.87 ALDH1A1 (0.84) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL17281797 0.86 ALDH1A1 (0.82) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL26219802 0.86 ALDH1A1 (0.82) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL19593673 0.86 ALDH1A1 (0.82) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL15581459 0.86 ALDH1A1 (0.62) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL439077 0.84 ALDH1A1 (0.84) ALDH1A1LMNAHPGDHTTMEN1

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-20240238461-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2024-07-18 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-20240238461-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF BDNF, CD47, MAG ALDH1A1 1381/4885LMNA 3701/4885HPGD 1663/4885

“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.