SCHEMBL5316674

SCHEMBL5316674

OCCSCC(O)SCCO

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 1/20 0.33

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
SCHEMBL10534854 0.81 TSHR (0.39) TDP1ROCK2
SCHEMBL2214760 0.80 ROCK2 (0.36) TDP1ROCK2
SCHEMBL2216461 0.80 ROCK2 (0.32) TDP1ROCK2
SCHEMBL11309790 0.77 ROCK2 (0.45) TDP1ROCK2
SCHEMBL11584678 0.76 TDP1 (0.47) TDP1ROCK2
SCHEMBL927428 0.75 TDP1 (0.53) TDP1ROCK2
SCHEMBL18947367 0.74 TDP1 (0.45) TDP1ROCK2
SCHEMBL24098178 0.72 TDP1 (0.50) TDP1ROCK2
SCHEMBL2214299 0.72 TDP1 (0.50) TDP1ROCK2
SCHEMBL2214777 0.72 TDP1 (0.43) TDP1ROCK2

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
US-9637584-B2 Method for producing polythiol compound, polymerizable composition for optical material, and uses thereof MITSUI CHEMICALS, INC. (JP) 2017-05-02 US disclosed
US-20160024242-A1 METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF MITSUI CHEMICALS., INC. (JP) 2016-01-28 US disclosed
WO-2007072529-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ASTAXANTHIN F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2007-06-28 WO disclosed
EP-0005749-B1 DERIVATIVES OF CYCLOHEXENE, PROCESS FOR THEIR PEPARATION, AS WELL AS THEIR USES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-30 EP disclosed
US-4245109-A Process for producing astaxanthin HOFFMANN-LA ROCHE INC. (US) 1981-01-13 US disclosed
EP-0005749-A2 Derivatives of cyclohexene, process for their peparation, as well as their uses F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-12-12 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 (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-20160024242-A1 METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF TREH, CTH, PITHD1 TDP1 2344/4885ROCK2 2479/4885

“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.