SCHEMBL3615490

SCHEMBL3615490

C=C(C)C(=O)OCCC[SiH2]C(OCC)(OCC)OCC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.49
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL759416 0.86 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16537916 0.85 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17104402 0.84 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16537643 0.81 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16537898 0.81 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1268912 0.80 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16537380 0.80 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31290104 0.79 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28352183 0.78 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16537377 0.77 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010026491-A2 PROCEDURE TO REMOVE PIGMENTARY STAINS AND TATOOS ON THE SKIN BY A SOLID-STATE DYE LASER SYSTEM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-03-11 WO claimed
US-8486428-B2 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-16 US disclosed
WO-2010026491-A2 PROCEDURE TO REMOVE PIGMENTARY STAINS AND TATOOS ON THE SKIN BY A SOLID-STATE DYE LASER SYSTEM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-03-11 WO disclosed
WO-2007126775-A2 COMPOSITIONS AND METHODS FOR MAKING AND USING ACYCLIC N-HALAMINE-BASED BIOCIDAL POLYMERIC MATERIALS AND ARTICLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-08 WO disclosed
US-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-09-27 US disclosed
US-7008990-B2 Use of polymeric reaction product BASF AKTIENGESELLSCHAFT (DE) 2006-03-07 US disclosed
US-20030170306-A1 Use of polymeric reaction product BASF AKTIENGESELLSCHAFT (DE) 2003-09-11 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 (2 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-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles NAAA, NIT2, AADAC TSHR 4421/4885THRB 4336/4885POLB 2103/4885
US-20030170306-A1 Use of polymeric reaction product OXSR1, OGFR, CBR1 TSHR 80/4885THRB 392/4885POLB 1020/4885

“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.