SCHEMBL8835142

SCHEMBL8835142

O=C(O)CC(S)C(S)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
ABCB11 O95342 1/20 0.53
F2 P00734 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
FOLH1 Q04609 3/20 0.39

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
SCHEMBL8726025 0.97 TDP1 (0.50) TDP1HPGDHSD17B10LMNAABCB11
SCHEMBL29961107 0.82 SLC22A6 (0.50) TDP1HPGDHSD17B10LMNAABCB11
SCHEMBL8448056 0.77 SLC22A6 (0.36) TDP1HPGDHSD17B10LMNAABCB11
SCHEMBL9304435 0.76 TDP1 (0.65) TDP1HPGDHSD17B10LMNAABCB11
SCHEMBL26320324 0.76 SMN1; SMN2 (0.48) TDP1HPGDHSD17B10LMNAABCB11
SCHEMBL11088379 0.74
SCHEMBL15143831 0.74
SCHEMBL12800334 0.74
SCHEMBL9400992 0.74 TDP1 (0.42) TDP1HPGDHSD17B10LMNAABCB11
SCHEMBL1153641 0.74 FOLH1 (0.58) TDP1HPGDHSD17B10LMNAABCB11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108610257-B Menthol derivatives, mixtures thereof, and methods for preparing and using menthol derivatives 上海大学 2021-12-03 CN disclosed
US-20160271061-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2016-09-22 US disclosed
US-8790621-B2 Nanoparticles and nanoparticle compositions IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-07-29 US disclosed
US-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-04-25 US disclosed
EP-0668265-B1 Mono-noble-metal dithiolates and their use in the preparation of noble metal containing decorations on substrates capable of being fired CERDEC AG (DE) 1997-06-18 EP disclosed
EP-0668265-A1 Mono-noble-metal dithiolates and their use in the preparation of noble metal containing decorations on substrates capable of being fired CERDEC AKTIENGESELLSCHAFT KERAMISCHE FARBEN (DE) 1995-08-23 EP 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 (2 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-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS MCM6, MPI, MSH2 TDP1 4614/4885HPGD 3588/4885HSD17B10 4057/4885
US-20160271061-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS MCM6, MPI, MSH2 TDP1 4614/4885HPGD 3588/4885HSD17B10 4057/4885

“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.