SCHEMBL19729210

SCHEMBL19729210

OCCCOCC1CCC2OC2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL5818100 0.95 TSHR (0.34) TSHR
SCHEMBL18873503 0.93 GBA1 (0.33) TSHR
SCHEMBL5819788 0.93 GBA1 (0.33) TSHR
SCHEMBL5822042 0.91 TSHR (0.32) TSHRPTGS1PTGS2
1,4-Butanediol SCHEMBL5818104 0.91 PTGS1 (0.31) PTGS1PTGS2
1,6-Hexanediol SCHEMBL5819793 0.89 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL13935572 0.89 TSHR (0.35) TSHR
SCHEMBL11759538 0.89 TSHR (0.40) TSHR
SCHEMBL14256258 0.88 MEN1 (0.38) TSHR
Ethylene Glycol SCHEMBL291992 0.87 PTGS1 (0.32) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 TSHR 4492/4885PTGS1 4629/4885PTGS2 4730/4885

“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.