SCHEMBL16395877

SCHEMBL16395877

C=CC(C)(CC1CO1)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL16931029 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9793543 0.68 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL5595793 0.67 LPAR1 (0.35) ALDH1A1
SCHEMBL779006 0.66 PGK1 (0.34)
SCHEMBL832265 0.65 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
Phosphoric Acid SCHEMBL11493356 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9221321 0.64 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL17662381 0.64 TSHR (0.35) ALDH1A1TSHRMAPK1
SCHEMBL3667632 0.63 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL6519062 0.63 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1

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-3939560-A1 COMPOSITIONS AND METHODS FOR BIOACTIVE DENTAL COMPOSITES Howard University (US) 2022-01-19 EP disclosed
EP-3003206-B1 COMPOSITIONS FOR BIOACTIVE DENTAL COMPOSITES UNIV HOWARD (US) 2021-08-18 EP disclosed
US-20160113844-A1 Compositions And Methods For Bioactive Dental Composites HOWARD UNIVERSITY (US) 2016-04-28 US disclosed
EP-3003206-A1 COMPOSITIONS AND METHODS FOR BIOACTIVE DENTAL COMPOSITES Howard University (US) 2016-04-13 EP disclosed
WO-2014197797-A1 COMPOSITIONS AND METHODS FOR BIOACTIVE DENTAL COMPOSITES WANG TONGXIN (US) 2014-12-11 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-20160113844-A1 Compositions And Methods For Bioactive Dental Composites PHOSPHO1, PLA2G2C, DCPS ALDH1A1 2896/4885TSHR 4388/4885MAPK1 3403/4885

“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.