SCHEMBL3199645

SCHEMBL3199645

C=CCO[PH](=O)OC(=O)C(=C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL7719439 0.85 ALDH1A1 (0.35) ALDH1A1TSHRTHRB
SCHEMBL27475968 0.79 THRB (0.42) ALDH1A1TSHRTHRB
SCHEMBL3691682 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTHRB
SCHEMBL6528117 0.76 GAA (0.31) TSHR
SCHEMBL5445725 0.76 ALDH1A1 (0.37) ALDH1A1TSHRTHRB
SCHEMBL27283612 0.75 MAPT (0.35)
SCHEMBL4787698 0.75 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
Phosphonic Acid SCHEMBL15392699 0.73 TSHR (0.44) ALDH1A1TSHRTHRB
SCHEMBL27095067 0.73 MAPT (0.32)
SCHEMBL30384 0.72

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-7777080-B2 Carboxylic acid derivatives containing phosphorous groups and organically polymerizable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2010-08-17 US disclosed
US-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2006-06-29 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-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups CA6, PGD, PHGDH ALDH1A1 711/4885TSHR 4722/4885THRB 4209/4885

“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.