SCHEMBL8738485

SCHEMBL8738485

C=CC(=O)OCCOC(=O)NCC1CCCC(CNC(=O)OCCOC(=O)C(=C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.36
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.33
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.31
NAAA Q02083 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21671197 0.92 THRB (0.41) TSHRALDH1A1THRBEPHX1CA1
SCHEMBL8738483 0.92 THRB (0.41) TSHRALDH1A1THRBEPHX1CA1
SCHEMBL8737819 0.90 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18123361 0.90 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8738995 0.89 TSHR (0.41) TSHRALDH1A1THRBEPHX1NPC1
SCHEMBL14048840 0.89 THRB (0.39) TSHRALDH1A1THRBEPHX1CA1
SCHEMBL18123480 0.89 TSHR (0.44) TSHRTHRBEPHX1NAAA
SCHEMBL18123481 0.89 THRB (0.45) TSHRALDH1A1THRBEPHX1CA1
SCHEMBL18123478 0.87 TSHR (0.45) TSHRTHRBEPHX1NAAA
SCHEMBL8738965 0.87 TSHR (0.42) TSHRALDH1A1THRBEPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220304901-A1 PHOTOPOLYMERIZABLE RESIN COMPOSITIONS FOR DURABLE DENTAL PROSTHETIC AND RESTORATIVE ARTICLES DENTSPLY SIRONA INC. (US) 2022-09-29 US disclosed
US-9937105-B2 High strength dental material DENTSPLY SIRONA INC. (US) 2018-04-10 US disclosed
US-9937105-B2 High strength dental material DENTSPLY SIRONA INC. (US) 2018-04-10 US disclosed
US-20150196462-A1 HIGH STRENGTH DENTAL MATERIAL DENTSPLY SIRONA INC. 2015-07-16 US disclosed
US-20150196462-A1 HIGH STRENGTH DENTAL MATERIAL DENTSPLY SIRONA INC. 2015-07-16 US disclosed
US-9011150-B2 High strength dental material DENTSPLY INTERNATIONAL INC. (US) 2015-04-21 US disclosed
US-9011150-B2 High strength dental material DENTSPLY INTERNATIONAL INC. (US) 2015-04-21 US disclosed
WO-2012071329-A2 HIGH STRENGTH DENTAL MATERIAL DENTSPLY INTERNATIONAL INC (US) 2012-05-31 WO disclosed
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL DENTSPLY INTERNATIONAL INC (US) 2012-05-24 US disclosed
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL DENTSPLY INTERNATIONAL INC (US) 2012-05-24 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 (3 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-20150196462-A1 HIGH STRENGTH DENTAL MATERIAL SMCHD1, CAD, DSG1 TSHR 4776/4885ALDH1A1 4268/4885TP53 3158/4885
US-20220304901-A1 PHOTOPOLYMERIZABLE RESIN COMPOSITIONS FOR DURABLE DENTAL PROSTHETIC AND RESTORATIVE ARTICLES KDM3A, PSMA3, NOX3 TSHR 4305/4885ALDH1A1 2106/4885TP53 2292/4885
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL SMCHD1, CAD, DSG1 TSHR 4776/4885ALDH1A1 4268/4885TP53 3158/4885

“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.