SCHEMBL31544091

SCHEMBL31544091

C=CC(=O)OCCC(Br)(COP(=O)(O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 6/20 0.35
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 3/20 0.32
HTT P42858 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
POLB P06746 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
SCHEMBL93347 0.76 THRB (0.37) THRBTSHRALDH1A1HIF1ASMN1; SMN2
Biphenyl SCHEMBL20537370 0.75 THRB (0.56) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28115369 0.74 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27979647 0.74 S1PR4 (0.37) THRBTSHRALDH1A1HIF1ACYP3A4
SCHEMBL93348 0.73 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28010777 0.72 TSHR (0.38) TSHRALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL29270405 0.72 TSHR (0.38) TSHRALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL31152910 0.72 LPAR3 (0.37) THRBTSHRALDH1A1HIF1AHTT
SCHEMBL238595 0.71 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29008219 0.71 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195336-A1 DENTAL RESIN-REINFORCED GLASS IONOMER CEMENT COMPOSITION FOR LUTING EXCELLENT IN ADHESIVE PROPERTY AND REMOVABILITY OF EXCESS CEMENT SHOFU INC. (JP) 2025-06-19 US disclosed
EP-4537805-A1 DENTAL RESIN-REINFORCED GLASS IONOMER CEMENT COMPOSITION FOR LUTING EXCELLENT IN ADHESIVE PROPERTY AND REMOVABILITY OF EXCESS CEMENT Shofu Inc. (JP) 2025-04-16 EP disclosed
CN-119700553-A Dental adhesive resin-reinforced glass ionomer water heater composition having excellent adhesion and residual water heater removability 株式会社松风 2025-03-28 CN 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-20250195336-A1 DENTAL RESIN-REINFORCED GLASS IONOMER CEMENT COMPOSITION FOR LUTING EXCELLENT IN ADHESIVE PROPERTY AND REMOVABILITY OF EXCESS CEMENT BRWD1, ITGA8, PLA2G2C THRB 962/4885TSHR 2327/4885ALDH1A1 2655/4885

“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.