SCHEMBL6833452

SCHEMBL6833452

C=C(C)C(=O)OCCOP(=O)(O)O.C=C(C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.44
BTN3A1 O00481 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LPAR3 Q9UBY5 8/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 4/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MVD P53602 2/20 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
SCHEMBL41531 0.94 THRB (0.55) THRBTSHRBTN3A1ALDH1A1LPAR3
SCHEMBL15194 0.94 THRB (0.55) THRBTSHRBTN3A1ALDH1A1POLB
SCHEMBL31091982 0.94 THRB (0.55) THRBTSHRBTN3A1ALDH1A1POLB
SCHEMBL29614442 0.94 THRB (0.55) THRBTSHRBTN3A1ALDH1A1LPAR3
Ethylene SCHEMBL42784 0.93 THRB (0.53) THRBTSHRBTN3A1ALDH1A1LPAR3
Phosphoric Acid SCHEMBL11307097 0.93 THRB (0.53) THRBTSHRBTN3A1ALDH1A1POLB
SCHEMBL32680488 0.93 THRB (0.53) THRBTSHRBTN3A1ALDH1A1LPAR3
Ammonia Solution, Strong SCHEMBL18139579 0.93 THRB (0.53) THRBTSHRBTN3A1ALDH1A1LPAR3
Ammonia Solution, Strong SCHEMBL18140715 0.93 THRB (0.53) THRBTSHRBTN3A1ALDH1A1POLB
SCHEMBL29030334 0.93 THRB (0.53) THRBTSHRBTN3A1ALDH1A1LPAR3

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-20040176496-A1 Light-curing dental adhesive compositions DENTKIST, INC. (KR) 2004-09-09 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-20040176496-A1 Light-curing dental adhesive compositions HBG2, GRIN2A, HBG1 THRB 1323/4885TSHR 4149/4885BTN3A1 575/4885

“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.