SCHEMBL8738965

SCHEMBL8738965

C=C(C)C(=O)OCCCOC(=O)NCC1CCCC(CNC(=O)OCCCOC(=O)C(=C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.36
EPHX1 P07099 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NAAA Q02083 6/20 0.34
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ASAH1 Q13510 1/20 0.33

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
SCHEMBL8738995 0.99 TSHR (0.41) TSHRTHRBEPHX1ALDH1A1POLB
SCHEMBL18123478 0.97 TSHR (0.45) TSHRTHRBEPHX1POLBAPEX1
SCHEMBL18123480 0.96 TSHR (0.44) TSHRTHRBEPHX1POLBAPEX1
SCHEMBL16657531 0.95 TSHR (0.38) TSHRTHRBEPHX1
SCHEMBL8738483 0.94 THRB (0.41) TSHRTHRBEPHX1ALDH1A1NAAA
SCHEMBL21671197 0.94 THRB (0.41) TSHRTHRBEPHX1ALDH1A1NAAA
SCHEMBL21667370 0.92 TSHR (0.41) TSHRTHRBEPHX1POLBAPEX1
SCHEMBL18123481 0.91 THRB (0.45) TSHRTHRBEPHX1ALDH1A1POLB
SCHEMBL14048840 0.91 THRB (0.39) TSHRTHRBEPHX1ALDH1A1NAAA
SCHEMBL21671200 0.90 TSHR (0.40) TSHRTHRBEPHX1POLBAPEX1

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 4776/4885THRB 4626/4885EPHX1 1587/4885
US-20220304901-A1 PHOTOPOLYMERIZABLE RESIN COMPOSITIONS FOR DURABLE DENTAL PROSTHETIC AND RESTORATIVE ARTICLES KDM3A, PSMA3, NOX3 TSHR 4305/4885THRB 4099/4885EPHX1 1655/4885
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL SMCHD1, CAD, DSG1 TSHR 4776/4885THRB 4626/4885EPHX1 1587/4885

“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.