SCHEMBL2154206

SCHEMBL2154206

O=C(OCCO)/C(=C\CC1CO1)CC1CO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL332327 1.00 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL18784073 0.84 ALDH1A1 (0.49) ALDH1A1
Ethylene Glycol SCHEMBL28180406 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9453050 0.79 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL27562885 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2834067 0.74
SCHEMBL5891588 0.74
SCHEMBL5430136 0.73 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL21694428 0.73
SCHEMBL332328 0.73 ALDH1A1 (0.44) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516414-B1 HETEROAROMATIC COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KK (JP) 2017-08-02 EP disclosed
US-8609869-B2 Heteroaromatic-containing compound, optical material and optical element CANON KABUSHIKI KAISHA (JP) 2013-12-17 US disclosed
EP-2516414-A1 HETEROAROMATIC-CONTAINING COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT Canon Kabushiki Kaisha (JP) 2012-10-31 EP disclosed
US-20120203012-A1 HETEROAROMATIC-CONTAINING COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2012-08-09 US disclosed
WO-2011081078-A1 HETEROAROMATIC-CONTAINING COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2011-07-07 WO 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-20120203012-A1 HETEROAROMATIC-CONTAINING COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT AR, AHR, ARNT ALDH1A1 304/4885TSHR 3386/4885

“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.